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 O=C(NCc1c(F)cccc1Cl)c1ccc[nH]1

InChI InChI=1S/C12H10ClFN2O/c13-9-3-1-4-10(14)8(9)7-16-12(17)11-5-2-6-15-11/h1-6,15H,7H2,(H,16,17)

InChIKey FAJFDHANKRXZDM-UHFFFAOYSA-N

Molecular Weight

252.68