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 Cc1cc(NCc2ccc(C(F)(F)F)cc2)cc(=O)n1CC(C)C

InChI InChI=1S/C18H21F3N2O/c1-12(2)11-23-13(3)8-16(9-17(23)24)22-10-14-4-6-15(7-5-14)18(19,20)21/h4-9,12,22H,10-11H2,1-3H3

InChIKey DQGLCUVKAXPIQI-UHFFFAOYSA-N

Molecular Weight

338.37