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Convert names or SMILES into offline structures, reactions, mechanisms, and spectra.
Copy the install command and let the AI configure it · recommended for beginners
Please install the "ChemDraw MCP (unofficial)" MCP server from askskill: Run: claude mcp add 'io-github-jurimaxam-dotcom-chemdraw-mcp' -- npx -y chemdraw-mcp
Convert the SMILES "CC(=O)OC1=CC=CC=C1C(=O)O" into a clear 2D molecular structure diagram and label the common functional groups.
A 2D structure diagram of the molecule with labels for functional groups such as ester and carboxylic acid.
Draw the reaction for "benzoic acid esterifies with ethanol to form ethyl benzoate," showing reactants, products, and the reaction arrow.
A standard 2D reaction scheme showing reactants, products, and the basic reaction relationship.
Based on the given molecule, generate a brief reaction mechanism schematic or provide basic spectra output notes for analysis.
A mechanism step schematic or a structured presentation of relevant spectra results with brief notes.
Convert chemical structure images into SMILES strings for extraction and analysis.
Look up compounds and calculate molecular weights and isotope distributions.
Use natural language to analyze molecules and run cheminformatics ML workflows.
Retrieve chemical substance information for research, study, and data lookup.
Control ChimeraX for molecular visualization, analysis, screenshots, and session management.
Interactively run and steer FAIRChem and ASE simulations with live monitoring.