generate_molecule
Draw a single compound as a 2D structure from a name or SMILES and export PNG/SVG with structure, properties, and functional groups.
Instructions
Draw one compound as a 2D structure — the default for a single substance.
Writes PNG/SVG files and returns an interactive panel with the structure, properties and functional groups. A bare compound name ("caffeine") also means this tool, and so does a question about why one compound behaves as it does (acidity, solubility) — the answer is in its structure. No ChemDraw required. A Fischer or Haworth projection of a sugar or amino acid, or a drawing with all H atoms, is this tool too: set view to "fischer", "haworth" or "all_h".
Not this tool for: several individual structures (use batch_generate), structural differences (use compare_molecules), a reaction scheme (use generate_reaction), or a data sheet (use lookup_molecule_data).
Pass English or IUPAC names, or SMILES; use label for a localized display name.
Args: name_or_smiles: English/IUPAC compound name or SMILES string. label: Display name shown below the structure (may be localized). formats: Any of "png", "svg", "cdxml" (default: png + svg). Add "cdxml" only when the structure is to be edited in ChemDraw. annotate_stereo: True prints CIP descriptors (R/S, E/Z) at each stereocenter. abbreviate_groups: True draws common substituents as the short labels chemists write by hand (Ph, Bn, OAc, OMe, CO2H, NO2, tBu, Boc, Ts, TMS). The chemistry is unchanged; no hover tooltips in the panel. render_style: "" standard · "compact" thin bonds for small print · "presentation" thick bonds for slides · "grayscale" b/w palette. stereo_variants: True returns every stereoisomer of the open centers (max 3) as a pick list instead of a drawing; only on request. view: "fischer"/"haworth"/"all_h" opens on that drawing, only if the user names it.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| view | No | ||
| label | No | ||
| formats | No | ||
| render_style | No | ||
| name_or_smiles | Yes | ||
| annotate_stereo | No | ||
| stereo_variants | No | ||
| abbreviate_groups | No |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| svg | No | ||
| name | No | ||
| type | No | molecule | |
| atoms | No | ||
| files | No | ||
| views | No | ||
| message | No | ||
| viewSvg | No | ||
| lipinski | No | ||
| subtitle | No | ||
| viewAtoms | No | ||
| candidates | No | ||
| cdxml_path | No | ||
| properties | No | ||
| stereoNote | No | ||
| initialView | No | ||
| viewRequest | No | ||
| projectionNote | No | ||
| stereoWarnings | No | ||
| functionalGroups | No |