Lab Toolbench
CHEMISTRY / SINGLE MOLECULE BETA

Molecular descriptors

Calculate formula, molecular mass and simple structural properties from a SMILES string.

Your molecule

01 / INPUT
Try an example

One connected molecule, up to 256 atoms. Salts and mixtures are rejected. Structures are sanitised without neutralisation or tautomer selection.

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Properties

02 / RESULT

A clear view of your molecule

Your result will include formula, average and monoisotopic mass, charge, and hydrogen-bond counts.

USE IT IN YOUR WORKFLOW

The same calculation, through an API.

One implementation powers this page, the HTTP API and MCP. Read the schemas, limits and authentication examples.

Open API documentation ↗Bounded guest access. Account OAuth for generic remote MCP clients is not enabled.