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 Cl.FCCNc1nc(-c2ccc(I)cc2)nc2ccccc12

InChI InChI=1S/C16H13FIN3.ClH/c17-9-10-19-16-13-3-1-2-4-14(13)20-15(21-16)11-5-7-12(18)8-6-11;/h1-8H,9-10H2,(H,19,20,21);1H

InChIKey CKVTUNKDKVNCGV-UHFFFAOYSA-N

Molecular Weight

429.66