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ChemDraft
Desktop editor for chemical structures, reaction schemes, mechanisms, and publication figures.
Open source. 53 of 65 checklist features confirmed.
Main canvas
No dark mode
Light interface and white canvas persisted under both per-process appearance overrides.
Default drawings
Caffeine
Paclitaxel
Cholesterol in 3D
- SMILES paste automatically generated 2D layouts; no cleanup was applied.
- Default window displayed rulers, grid and crosshairs over structures.
- SVG and PNG exports covered an entire US Letter page.
- Exported SMILES retained all 11 paclitaxel and 8 cholesterol stereocenters.
- Default PNG was 816 by 1056 pixels at 1x scale.
- Workspace footer exposes Build 11.02.09.30-codex ยท 2026-11-02 09:59:39 c8de6165.
- Interactive 3D empty-space dragging rotates the model; atom dragging tugs atoms and triggers UFF settling.
Facts
- GitHub stars
- 64 stars on 6 Nov 2026
- First commit
- 29 May 2026
- Repository activity
- 1,020 commits, 6 contributors, last push 3 Nov 2026
- Latest version
- v1.1.0
- Version we tested
- 1.1.0
- Runs on
- macOS, Windows
- License
- Apache License 2.0 for the core application.
- Price
- Free
- Relies on
- RDKit, OpenChemLib, IsoSpec, OPSIN, InChI, Avogadro, Indigo. Own native SVG canvas. Includes an optional Ketcher sub-editor for one molecule; its click-to-open paths are off in this build.
- Draws with
- Custom SVG page renderer; resvg raster export; svg2pdf.js and jsPDF vector PDF export
- Chemistry from
- RDKit WASM, OpenChemLib and OPSIN; IsoSpec for isotope envelopes
- Interface
- React 19 in a Tauri 2 desktop shell
- Main language
- TypeScript
- Other languages
- Rust: Tauri shell and native engine bridges; JavaScript: Frontend bundle and chemistry engines; C++: WASM chemistry and native 3D sidecar; Java: Bundled OPSIN and naming dependencies; Python: Optional naming and image recognition sidecars; C: InChI identifier library
- Renderer
- Original: ChemDraft layout-engine SVG renderer
- Third-party licenses
- Includes LGPL-2.1-or-later (jna-inchi), GPL-2.0 with Classpath exception (JRE), MPL-2.0 (Eigen/color picker) and OFL-1.1 fonts; pKa-data and RDKit-InChI terms partly unresolved.
- Download
- 80 MB
- Installed
- 122 MB
- v1.1.0 can lose later text edits after saving during text editing; click outside the box before continuing.
- CDX is unsupported; CDXML exchanges a supported subset and omits pictures.
- NMR, image recognition, structure naming and the assistant require separate plugins or engines.
In use
Screenshots from our test of this version.
Tilt drawings in perspective
Cholesterol drawing shown in the rotation workspace.
Formula and mass
Molecular Inspector displays caffeine formula and molecular masses.
Structure to name
Ethanol structure and generated name appear on the canvas.
3D model view
Cholesterol structure in the interactive 3D workspace.
CDXML import and export
Caffeine structure opened from a CDXML file.
SMILES
Molecular Inspector displays caffeine canonical SMILES.
InChI
Molecular Inspector displays caffeine InChI and InChIKey.
Features
- 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.
Drawing structures
- Yes, tested by running it: Drew single bond; clicking cycled double and triple orders. Opens the cited page.Single, double and triple bondsDrew single bond; clicking cycled double and triple orders.github.com
- Partly: Imported wedge/hash visible; hand-drawing blocked by missing palette. Opens the cited page.Wedge, hash and wavy bondsImported wedge/hash visible; hand-drawing blocked by missing palette.github.com
- Yes, according to the manual: Dashed single bonds represent dative and hydrogen interactions. Opens the cited page.Dative, hydrogen and quadruple bondsDashed single bonds represent dative and hydrogen interactions.github.com
- Yes, according to the manual. Opens the cited page.Choose double-bond sidegithub.com
- Partly: Rings palette reported open but never appeared; R produced no ring. Opens the cited page.Ring toolsRings palette reported open but never appeared; R produced no ring.github.com
- Yes, according to the manual: Two chair cyclohexane templates. Opens the cited page.Chair and Haworth ringsTwo chair cyclohexane templates.github.com
- Yes, according to the manual. Opens the cited page.Chain toolgithub.com
- Yes, tested by running it: Inserted 18-crown-6 from built-in template picker. Opens the cited page.Template libraryInserted 18-crown-6 from built-in template picker.github.com
- Not establishedSave your own templates
- Yes, according to the manual. Opens the cited page.Group abbreviationsgithub.com
- Yes, according to the manual: Charges, element labels, D/T and imported isotope labels. Opens the cited page.Charges, isotopes and atom labelsCharges, element labels, D/T and imported isotope labels.github.com
- Yes, according to the manual. Opens the cited page.Radicals and lone pairsgithub.com
- Yes, according to the manual. Opens the cited page.Keyboard drawinggithub.com
- Yes, according to the manual. Opens the cited page.Lasso select and transformsgithub.com
- Yes, tested by running it: Interactive 3D workspace projected cholesterol onto the drawing. Opens the screenshot.Tilt drawings in perspectiveInteractive 3D workspace projected cholesterol onto the drawing.github.com
Reactions and mechanisms
- Partly: Arrows Toolbar reported open; no drawing controls appeared. Opens the cited page.Reaction arrowsArrows Toolbar reported open; no drawing controls appeared.github.com
- Partly: Annotation Toolbar reported open; no drawing controls appeared. Opens the cited page.Curved mechanism arrowsAnnotation Toolbar reported open; no drawing controls appeared.github.com
- Not establishedMachine-readable reactions
- Not establishedAtom mapping
- Yes, according to the manual. Opens the cited page.Orbitals and symbolsgithub.com
Figures and layout
- Yes, according to the manual. Opens the cited page.Rich text captionsgithub.com
- Yes, according to the manual. Opens the cited page.Shapes, brackets and curvesgithub.com
- Yes, according to the manual. Opens the cited page.Align and distributegithub.com
- Yes, according to the manual. Opens the cited page.Group and ungroupgithub.com
- Yes, according to the manual. Opens the cited page.2D structure cleanupgithub.com
- No: A journal-style preset is planned for v1.2. Opens the cited page.Journal drawing stylesA journal-style preset is planned for v1.2.github.com
- Yes, according to the manual: Drawing settings export and import as reusable style templates. Opens the cited page.Reusable custom stylesDrawing settings export and import as reusable style templates.github.com
- Yes, according to the manual. Opens the cited page.Color controlgithub.com
- Yes, according to the manual: Selected atom labels support custom colored background halos in exports. Opens the cited page.Color highlightingSelected atom labels support custom colored background halos in exports.github.com
- Partly: Page sizing exists; desktop editor displays only the first page. Opens the cited page.Page layout and multipagePage sizing exists; desktop editor displays only the first page.github.com
- Yes, according to the manual. Opens the cited page.Imported picturesgithub.com
- Yes, according to the manual: Editable tables. Opens the cited page.TLC plates and tablesEditable tables.github.com
Chemistry intelligence
- Yes, according to the manual. Opens the cited page.Structure checkinggithub.com
- Yes, according to the manual: Computed R/S and E/Z descriptors. Opens the cited page.R/S and E/Z labelsComputed R/S and E/Z descriptors.github.com
- Yes, tested by running it: Caffeine: C8H10N4O2; average mass 194.194 g/mol. Opens the screenshot.Formula and massCaffeine: C8H10N4O2; average mass 194.194 g/mol.github.com
- Yes, according to the manual: Includes logP and TPSA. Opens the cited page.Property estimatesIncludes logP and TPSA.github.com
- Yes, tested by running it: Ethanol converted after installing official OPSIN plugin v0.3.0. Opens the cited page.Name to structureEthanol converted after installing official OPSIN plugin v0.3.0.github.com
- Yes, tested by running it: Ethanol named after installing official Orthonym plugin v0.1.0. Opens the screenshot.Structure to nameEthanol named after installing official Orthonym plugin v0.1.0.github.com
- Yes, according to the manual: Separate NMR predictor plugin; 1H predictions are experimental. Opens the cited page.NMR predictionSeparate NMR predictor plugin; 1H predictions are experimental.github.com
- Yes, according to the manual: R-group and generic placeholders; no formula contribution. Opens the cited page.R-groups and query structuresR-group and generic placeholders; no formula contribution.github.com
- No: Polymer repeat units are planned; current brackets are graphical. Opens the cited page.Polymers and repeat unitsPolymer repeat units are planned; current brackets are graphical.github.com
- Not establishedPeptides and nucleic acids
- Yes, according to the manual: Requires the optional MolScribe plugin and downloaded local engine. Opens the cited page.Image to structureRequires the optional MolScribe plugin and downloaded local engine.github.com
- Partly: Agent helper fetches PubChem structures; desktop search is planned. Opens the cited page.Online structure lookupAgent helper fetches PubChem structures; desktop search is planned.github.com
- Yes, tested by running it: Cholesterol SMILES built 3D wireframe; interaction triggered UFF settling. Opens the screenshot.3D model viewCholesterol SMILES built 3D wireframe; interaction triggered UFF settling.github.com
- Not establishedCrystal structures
Files and exchange
- Yes, tested by running it: File export/reopen worked; clipboard paste explicitly unimplemented. Opens the screenshot.CDXML import and exportFile export/reopen worked; clipboard paste explicitly unimplemented.github.com
- No: Binary CDX is explicitly rejected; use CDXML. Opens the cited page.CDX import and exportBinary CDX is explicitly rejected; use CDXML.github.com
- Partly: MOL paste and SDF export worked; Open rejected MOL file. Opens the cited page.MOL and SDFMOL paste and SDF export worked; Open rejected MOL file.github.com
- Yes, tested by running it: All three pasted and exported; isomeric SMILES matched fixtures. Opens the screenshot.SMILESAll three pasted and exported; isomeric SMILES matched fixtures.github.com
- Yes, tested by running it: Molecular Inspector computed caffeine InChI and InChIKey. Opens the screenshot.InChIMolecular Inspector computed caffeine InChI and InChIKey.github.com
- Partly: RXN paste extracts molecules; reaction roles, arrows and layout are omitted. Opens the cited page.RXN filesRXN paste extracts molecules; reaction roles, arrows and layout are omitted.github.com
- Yes, tested by running it: Default SVG exports saved for caffeine and cholesterol. Opens the cited page.SVG exportDefault SVG exports saved for caffeine and cholesterol.github.com
- Yes, tested by running it: Default vector PDF exported successfully. Opens the cited page.PDF exportDefault vector PDF exported successfully.github.com
- Partly: Default 1x PNG exported at 96 dpi; print resolution untested. Opens the cited page.High-resolution PNGDefault 1x PNG exported at 96 dpi; print resolution untested.github.com
- Partly: MOL text bridge exists; native CDXML/CDX clipboard paste is unimplemented. Opens the cited page.Paste to and from ChemDrawMOL text bridge exists; native CDXML/CDX clipboard paste is unimplemented.github.com
- No: Editing structures inside Word and PowerPoint is planned for v2.0. Opens the cited page.Editable in Word or PowerPointEditing structures inside Word and PowerPoint is planned for v2.0.github.com
- Not establishedWindows Office OLE
APIs and automation
- Not establishedPython API
- Yes, according to the manual: TypeScript plugin SDK exposes document and chemistry operations. Opens the cited page.JavaScript or TypeScript APITypeScript plugin SDK exposes document and chemistry operations.github.com
- Yes, according to the manual: Requires a source checkout. Opens the cited page.Command-line toolRequires a source checkout.github.com
- Yes, according to the manual: Local stdio MCP server; requires a source checkout. Opens the cited page.AI agent controlLocal stdio MCP server; requires a source checkout.github.com
- Yes, according to the manual: Optional Assistant plugin; free, separately licensed proprietary code. Opens the cited page.Built-in AI assistantOptional Assistant plugin; free, separately licensed proprietary code.github.com
Embedding and extension
- Yes, tested by running it: Installed and ran official OPSIN and Orthonym plugins. Opens the cited page.PluginsInstalled and ran official OPSIN and Orthonym plugins.github.com
- Not established: No documented embedding; editor-shell is an unpublished internal workspace package.Embed in your own appNo documented embedding; editor-shell is an unpublished internal workspace package.github.com