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 Cc1ccc(C(=O)NO)cc1F

InChI InChI=1S/C8H8FNO2/c1-5-2-3-6(4-7(5)9)8(11)10-12/h2-4,12H,1H3,(H,10,11)

InChIKey BMXQRENAZWUHPR-UHFFFAOYSA-N

Molecular Weight

169.16