Molecular Editor Online

About This Tool

The Molecular Editor Online provides a domain-focused editor for creating and editing molecular representations. Users input a structure via SMILES, InChI, Molfile, or an interactive canvas and the tool maintains a consistent internal graph model. The editor validates valence rules, supports common functional groups, and ensures generated 2D coordinates are suitable for depiction or export.
Core capabilities include parsing standard formats, rendering a clean 2D depiction, editing atoms and bonds by simple actions, and converting between representations. The tool can compute basic properties (molecular formula, exact mass) and produce canonical SMILES or InChI as outputs. Advanced features include aromaticity recognition, stereochemistry handling, and optional ring perception to help with planning synthetic routes.
Target users are medicinal chemists, academic researchers, and students who need a reliable, fast editor integrated into data workflows or learning environments. The unique value lies in accurate format interconversion, robust validation, and a lightweight, scriptable design that minimizes dependency on heavy desktop tools.
Use cases span rapid sketching for synthesis planning, preparing teaching examples, QA of chemical datasets, and software testing where deterministic structure serialization matters. The tool remains focused on structure editing and representation conversion, avoiding computational chemistry simulations while delivering precise graph-based handling. Data interoperability and export are emphasized: exports include SMILES, InChI, Molfile, and a clean 2D SVG for publication or teaching materials. The editor also supports batch processing of multiple structures via an API.

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