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Online structure lookup
Structures can be fetched from PubChem or a similar database.
53 tools have this, 4 of them shown here. 8 do not. 67 not established.
What powers it: PubChem PUG REST web service (3), PubChem web service (2), ChemACX.com (remote database through ChemACX Explorer add-in) (1), PubChem PUG REST (remote name/CAS/CID lookup) (1), PubChem PUG REST (remote server, accessed with Rust reqwest) (1), PubChem PUG REST (remote HTTP API; Node.js agent helper only) (1), PubChem PUG REST and autocomplete web services (1), PubChem web service (via Chempirical server proxy) (1), PubChem PUG REST and NCI/CADD Chemical Identifier Resolver (CACTUS) (remote HTTP services) (1), PubChem PUG REST/PUG View (remote database); NCI CACTUS Chemical Identifier Resolver (remote CAS-to-structure fallback) (1), PubChem PUG REST (remote InChIKey lookup); ChemSpider Compounds API (remote name search, configured host required) (1), PubChem web service (via site server proxy) (1), ChemTradeHub chemical structure lookup (remote web service through /api/query-chem) (1), PubChem PUG REST web service (Python urllib client) (1), PubChem PUG REST (remote compound name and structure lookup) (1), PubChem PUG REST and autocomplete HTTP APIs through an In-house TypeScript client (1), RCSB PDB Data API (remote API) (1), PubChem PUG REST (remote web service) (1), ChemDoodle Java API (remote iChemLabs CloudServices; getMoleculeFromDatabase accesses PubChem, ChemSpider and ChemExper) (1), PubChem PUG REST web service (optional PubChem Name Resolver Python plugin) (1), PubChem autocomplete and PUG REST (remote server APIs); RDKit (local Python/PyInstaller sidecar for importing results) (1), PubChem Entrez/E-utilities (remote HTTP), In-house Java client, and CDK SmilesParser (Java; legacy endpoints) (1), Molsoft dictionary web service; PubChem web service via Molsoft proxy (remote servers) (1), PubChem PUG REST (remote HTTP name/CAS lookup) (1), PubChem PUG REST (remote HTTPS/JSON API; Qt C++ client) (1), NCI Chemical Identifier Resolver (remote server, official demo) (1), ChemSpider web service (outbound search form only) (1), NIST Chemistry WebBook (remote HTTP lookup through legacy Python plugin) (1), PubChem, ChemSpider and ChemExper (remote databases through MolGrabber) (1), PubChem web service (PUG REST and autocomplete) (1), In-house Chemaxon name resolver (Java client; remote NIH/Wikimedia HTTPS services) (1), PubChem PUG REST (remote CAS-to-SMILES fallback to the internal compound database) (1), NIST Chemistry WebBook (remote HTTP lookup plugin; OASA Python MOL import) (1), NCI/CADD, PubChem and BIOVIA DiscoveryGate (remote web services via Structure Resolver) (1), PubChem web service (through KnowItAll MineIt) (1), PubChem (remote database service) (1), KingDraw Compound Encyclopedia / KD Pedia (remote database service) (1), EPA iCSS Chemistry Dashboard (remote database through ChemSketch EPA iCSS Add-on) (1), PubChem E-utilities/PUG REST and ChEBI REST (remote services; in-house C# search plugins) (1), PubChem (remote search, compound information and SDF retrieval) (1), PubChem PUG REST (remote server, name-to-SMILES lookup through C++ libcurl) (1), PubChem web service (compound lookup and similarity search) (1), PubChem (remote database lookup) (1), MetaSearch (remote server; PubChem, ChEBI and ChemSpider web services) (1), PubChem PUG REST (remote API through PubChemPy Python get_compounds) (1), PubChem (remote website search opened in browser; no structure import) (1)
- Tested by running it
- Seen in the app
- The manual says yes
- Partly, with the reason shown
- Not supported
- Not established, which is not the same as no
Select a mark for its proof. A filled mark opens our screenshot, or the manual if the check left nothing to picture. A ring opens the manual.

Yes, tested by running it: Look up online… returned caffeine, PubChem CID 2519, after the query was confirmed. ReShiki
0.14.0
PubChem lookup returned caffeine, CID 2519, for the name caffeine.

Yes, tested by running it: Web chemical-name lookup returned caffeine structure. ChemEdit
1.4.3
Uses PubChem PUG REST and NCI/CADD Chemical Identifier Resolver (CACTUS) (remote HTTP services)
Web lookup for caffeine with a structure result.

Yes, according to the manual: Searches CAS numbers, formulas and English names through ChemTradeHub. FreeChemDraw
3.18.0
Uses ChemTradeHub chemical structure lookup (remote web service through /api/query-chem)
Structure Lookup search field beside the editor.

Yes, tested by running it: Infocard identified caffeine using PubChem. MolView.com
2026-11-02 (5ecc001a)
Uses PubChem web service
Caffeine Infocard includes a PubChem link and identifiers.
Available, no screenshot
ChemDraw's license keeps us from publishing pictures of its interface.
- Yes, according to the manual: Fetch structures by CAS number; Professional and Signals. Opens the cited page.ChemDrawProfessionalUses ChemACX.com (remote database through ChemACX Explorer add-in). Fetch structures by CAS number; Professional and Signals.
- Yes, tested by running it: Caffeine PubChem search placed a structure. Opens the cited page.MolDrawUses PubChem PUG REST (remote name/CAS/CID lookup). Caffeine PubChem search placed a structure.Source
- Yes, tested by running it: Caffeine name lookup fetched its structure from PubChem. Opens the cited page.PenzeneUses PubChem PUG REST web service. Caffeine name lookup fetched its structure from PubChem.Source
- Yes, according to the manual: Fetches PubChem structures when offline name conversion fails. Opens the cited page.Octet DrawUses PubChem PUG REST (remote server, accessed with Rust reqwest). Fetches PubChem structures when offline name conversion fails.Source
- Partly: Agent helper fetches PubChem structures; desktop search is planned. Opens the cited page.ChemDraftUses PubChem PUG REST (remote HTTP API; Node.js agent helper only). Agent helper fetches PubChem structures; desktop search is planned.Source
- Yes, tested by running it: Aspirin search returned PubChem entry and structure. Opens the cited page.SketchIQUses PubChem PUG REST and autocomplete web services. Aspirin search returned PubChem entry and structure.Source
- Yes, tested by running it: Search returned and inserted aspirin. Opens the cited page.CovalentUses PubChem web service (via Chempirical server proxy). Search returned and inserted aspirin.Source
- Yes, according to the manual: Name lookup retrieves structures from PubChem. Opens the cited page.Chem IllustratorUses PubChem PUG REST/PUG View (remote database); NCI CACTUS Chemical Identifier Resolver (remote CAS-to-structure fallback). Name lookup retrieves structures from PubChem.Source
- Yes, according to the manual: Fetches importable SMILES; approximate InChIKeys can miss PubChem matches. Opens the cited page.Chematic DrawUses PubChem PUG REST (remote InChIKey lookup); ChemSpider Compounds API (remote name search, configured host required). Fetches importable SMILES; approximate InChIKeys can miss PubChem matches.Source
- Yes, tested by running it: PubChem returned caffeine, paclitaxel, cholesterol, and aspirin. Opens the cited page.Molecule Lab (The Freshman Mole)Uses PubChem web service (via site server proxy). PubChem returned caffeine, paclitaxel, cholesterol, and aspirin.Source
- Yes, tested by running it: PubChem successfully resolved caffeine name and structure. Opens the cited page.ErezDrawUses PubChem PUG REST web service (Python urllib client). PubChem successfully resolved caffeine name and structure.Source
- Yes, according to the manual. Opens the cited page.MolChartUses PubChem PUG REST (remote compound name and structure lookup). Source
- Yes, tested by running it: Caffeine lookup fetched its structure through PubChem. Opens the cited page.MolCanvasUses PubChem PUG REST web service. Caffeine lookup fetched its structure through PubChem.Source
- Partly: PubChem fetching works; Ketcher insertion is not wired. Opens the cited page.KendrawUses PubChem PUG REST and autocomplete HTTP APIs through an In-house TypeScript client. PubChem fetching works; Ketcher insertion is not wired.Source
- Yes, according to the manual: Imports small-molecule ligands by RCSB PDB accession. Opens the cited page.BoltzDrawUses RCSB PDB Data API (remote API). Imports small-molecule ligands by RCSB PDB accession.Source
- Yes, tested by running it: PubChem aspirin lookup returned a structure. Opens the cited page.Zeanium Molecule DrawerUses PubChem PUG REST (remote web service). PubChem aspirin lookup returned a structure.Source
- Yes, according to the manual: PubChem, ChemSpider, and ChemExper through iChemLabs Cloud Services. Opens the cited page.ChemDoodle Web ComponentsUses ChemDoodle Java API (remote iChemLabs CloudServices; getMoleculeFromDatabase accesses PubChem, ChemSpider and ChemExper). PubChem, ChemSpider, and ChemExper through iChemLabs Cloud Services.Source
- Yes, according to the manual: Requires PubChem Name Resolver plugin. Opens the cited page.MoleditPyUses PubChem PUG REST web service (optional PubChem Name Resolver Python plugin). Requires PubChem Name Resolver plugin.Source
- Yes, tested by running it: Fetched caffeine from PubChem and inserted the returned structure. Opens the cited page.ChemCanvasUses PubChem PUG REST web service. Fetched caffeine from PubChem and inserted the returned structure.Source
- Yes, tested by running it: KnowItAll returned caffeine matches and imported the first. Opens the cited page.ChemableUses PubChem autocomplete and PUG REST (remote server APIs); RDKit (local Python/PyInstaller sidecar for importing results). KnowItAll returned caffeine matches and imported the first.Source
- Partly: Opens matching PubChem pages instead of importing structures into the editor. Opens the cited page.cDrawOpens matching PubChem pages instead of importing structures into the editor.Source
- Yes, according to the manual: CAS lookup uses legacy PubChem endpoints; service availability unverified. Opens the cited page.JChemPaintUses PubChem Entrez/E-utilities (remote HTTP), In-house Java client, and CDK SmilesParser (Java; legacy endpoints). CAS lookup uses legacy PubChem endpoints; service availability unverified.Source
- Yes, tested by running it: Dictionary search returned caffeine and imported its structure. Opens the cited page.Molsoft HTML5 Molecule EditorUses Molsoft dictionary web service; PubChem web service via Molsoft proxy (remote servers). Dictionary search returned caffeine and imported its structure.Source
- Yes, according to the manual: Name and CAS lookup through PubChem PUG REST. Opens the cited page.MolSketchUses PubChem PUG REST (remote HTTP name/CAS lookup). Name and CAS lookup through PubChem PUG REST.Source
- Yes, according to the manual: Elemental DB edition searches ChEMBL; vendor claim. Opens the cited page.Dotmatics Elemental / Elemental DrawElemental DB edition searches ChEMBL; vendor claim.Source
- Yes, according to the manual: PubChem search by name, CAS number, or formula. Opens the cited page.XDrawChemUses PubChem PUG REST (remote HTTPS/JSON API; Qt C++ client). PubChem search by name, CAS number, or formula.Source
- Yes, according to the manual: Official demo fetches structures through the NCI Chemical Identifier Resolver. Opens the cited page.JSME Molecule EditorUses NCI Chemical Identifier Resolver (remote server, official demo). Official demo fetches structures through the NCI Chemical Identifier Resolver.Source
- Partly: Submits ChemSpider searches; no returned structures are fetched into the editor. Opens the cited page.MolTouchUses ChemSpider web service (outbound search form only). Submits ChemSpider searches; no returned structures are fetched into the editor.Source
- Partly: NIST structure-fetch plugin retains incompatible Python 2 imports. Opens the cited page.BKChem Python 3 ModernizedUses NIST Chemistry WebBook (remote HTTP lookup through legacy Python plugin). NIST structure-fetch plugin retains incompatible Python 2 imports.Source
- Yes, according to the manual: Retrieves structures from PubChem, ChemSpider, and ChemExper. Opens the cited page.ChemDoodle 2DUses PubChem, ChemSpider and ChemExper (remote databases through MolGrabber). Retrieves structures from PubChem, ChemSpider, and ChemExper.Source
- Yes, according to the manual: Search PubChem by name and import an editable structure. Opens the cited page.LabCanvas Figure Editor / MolDrawUses PubChem web service (PUG REST and autocomplete). Search PubChem by name and import an editable structure.Source
- Yes, according to the manual: CAS-number lookup retrieves structures from public NIH/Wikimedia sources. Opens the cited page.Marvin Desktop Suite / MarvinSketchUses In-house Chemaxon name resolver (Java client; remote NIH/Wikimedia HTTPS services). CAS-number lookup retrieves structures from public NIH/Wikimedia sources.Source
- Partly: Searches PubChem/Reaxys externally; structure retrieval into editor unverified. Opens the cited page.ChemDraft (元素智研)Searches PubChem/Reaxys externally; structure retrieval into editor unverified.Source
- Yes, according to the manual: Built-in compound database. Opens the cited page.InDrawUses PubChem PUG REST (remote CAS-to-SMILES fallback to the internal compound database). Built-in compound database.Source
- Yes, according to the manual: Imports NIST WebBook structures; current service compatibility unverified. Opens the cited page.BKChemUses NIST Chemistry WebBook (remote HTTP lookup plugin; OASA Python MOL import). Imports NIST WebBook structures; current service compatibility unverified.Source
- Yes, according to the manual: vendor claim; Structure Resolver retrieves PubChem and NCI/CADD structures. Opens the cited page.BIOVIA DrawUses NCI/CADD, PubChem and BIOVIA DiscoveryGate (remote web services via Structure Resolver). vendor claim; Structure Resolver retrieves PubChem and NCI/CADD structures.Source
- Yes, according to the manual: PubChem structures via MineIt; vendor claim. Opens the cited page.ChemWindow (KnowItAll ChemWindow Edition)Uses PubChem web service (through KnowItAll MineIt). PubChem structures via MineIt; vendor claim.Source
- Yes, according to the manual: PubChem data populates structures on the drawing board. Opens the cited page.Zoho ChemStudioUses PubChem (remote database service). PubChem data populates structures on the drawing board.Source
- Yes, according to the manual: Integrated KDpedia lookup and structure downloads. Opens the cited page.KingDrawUses KingDraw Compound Encyclopedia / KD Pedia (remote database service). Integrated KDpedia lookup and structure downloads.Source
- Yes, according to the manual: Vendor claim: access PubChem, eMolecules, and ChemSpider databases. Opens the cited page.ACD/ChemSketchUses EPA iCSS Chemistry Dashboard (remote database through ChemSketch EPA iCSS Add-on). Vendor claim: access PubChem, eMolecules, and ChemSpider databases.Source
- Yes, according to the manual: PubChem search imports retrieved structures as CML. Opens the cited page.Chem4WordUses PubChem E-utilities/PUG REST and ChEBI REST (remote services; in-house C# search plugins). PubChem search imports retrieved structures as CML.Source
- Yes, according to the manual: PubChem searches retrieve compounds and import SDF structures. Opens the cited page.AtomLensUses PubChem (remote search, compound information and SDF retrieval). PubChem searches retrieve compounds and import SDF structures.Source
- Yes, according to the manual: Fetches structures from PubChem when resolving chemical names. Opens the cited page.ChemCADUses PubChem PUG REST (remote server, name-to-SMILES lookup through C++ libcurl). Fetches structures from PubChem when resolving chemical names.Source
- Yes, according to the manual: PubChem via AI; Standard or verified Student after trial. Opens the cited page.ChemStitchStudentUses PubChem web service (compound lookup and similarity search). PubChem via AI; Standard or verified Student after trial.Source
- Yes, according to the manual: PubChem search by name, CID or SMILES. Opens the cited page.MolSketchGoUses PubChem web service. PubChem search by name, CID or SMILES.Source
- Yes, according to the manual: Pro; vendor claim: PubChem-backed compound search. Opens the cited page.Chem+ Molecular Structure EditorProUses PubChem (remote database lookup). Pro; vendor claim: PubChem-backed compound search.Source
- Yes, according to the manual: Searches PubChem and ChEBI by name or structure. Opens the cited page.MolPrime+Uses MetaSearch (remote server; PubChem, ChEBI and ChemSpider web services). Searches PubChem and ChEBI by name or structure.Source
- Yes, according to the manual: PubChem retrieval loads structures onto the canvas. Opens the cited page.MolGenDrawUses PubChem PUG REST (remote API through PubChemPy Python get_compounds). PubChem retrieval loads structures onto the canvas.Source
- Partly: Search results open in browser; structures cannot be imported. Opens the cited page.ChemScribbleUses PubChem (remote website search opened in browser; no structure import). Search results open in browser; structures cannot be imported.Source
Not available
- No: PubChem search is listed for future v1.0. Opens the cited page.BondForgePubChem search is listed for future v1.0.Source
- No: Explicitly excludes name-to-structure databases and OPSIN/PubChem dependencies. Opens the cited page.AI Chemical Drawing (CubicZnS)Explicitly excludes name-to-structure databases and OPSIN/PubChem dependencies.Source
- No: Caffeine Wikidata query failed with network error 499. Opens the cited page.MolsketchCaffeine Wikidata query failed with network error 499.Source
- No. Opens the cited page.WaveSpeed AI Chemical Structure DrawerSource
- No: Database search explicitly excluded from v1. Opens the cited page.schematicDatabase search explicitly excluded from v1.Source
- No: Both desktop builds explicitly lack network access. Opens the cited page.ChemPencilBoth desktop builds explicitly lack network access.Source
- No: Live PubChem lookup explicitly dropped. Opens the cited page.Ferrum Chemical ForgeLive PubChem lookup explicitly dropped.Source
- No: Application has no network permission and cannot query online databases. Opens the cited page.BondDrawApplication has no network permission and cannot query online databases.Source
Not established (67)
Reactio Draw, ChemThisTry, vibe-sketcher, Chemliora, Molbrett, Sciformation VectorMol, Chemeditor (Chemrise), Ketcher, OpenReactions, PyChem-Pro, chemfig, Molecule Builder (OvOHongYu), KetchDraw, Chemvas, Schrödinger Sketcher, BondCraft, Molecule Clipboard, MolGLideX, SketchScape, ChemSema, Structura (chem-structura), OpenChemLib JS editor, SketchEl 2, Kekule.js, SketchEl, Chemifree, RadSketch, Ketcherails (ketcher-rails), Butlerov, ChemMD, WebMolKit, rdEditor, ChemCanvasJS, Chemical Structure Editor (CSE), Kemia, JMolDraw, Chemeditor (Chemie-Lernprogramme), SketChem, vue-chemdraw (0chem), ChemWriter, MCDL Java Chemical Structure Editor, Glass, molsketch-cljs, MolPad, Marvin JS, Chemistry Draw, GChemPaint, Marvin Cloud, Chemtool, Lhendraw, JSDraw, MoleculeSketch, FX ChemStruct / FX Draw Chemical Structures, Chemistry 4-D Draw, ChemGraphic 2, EasyChem, MyChemise, CyBy-Draw, Elk_Draw RDKit, Chirys Draw, Chem Sketcher (Non_REM.Persona Laboratory), Structo, Chemograph Plus, alvaSketcher, moled, ChemWorks, Molecule