Identifier Cleaner

Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.

Example: aspirin → CC(=O)Oc1ccccc1C(=O)O

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES Cc1nc2cc(Cl)ccc2n1C

InChI InChI=1S/C9H9ClN2/c1-6-11-8-5-7(10)3-4-9(8)12(6)2/h3-5H,1-2H3

InChIKey FLDCSPABIQBYKP-UHFFFAOYSA-N

Molecular Weight

180.64