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 CN1CCC=C(c2nccnc2Cl)C1

InChI InChI=1S/C10H12ClN3/c1-14-6-2-3-8(7-14)9-10(11)13-5-4-12-9/h3-5H,2,6-7H2,1H3

InChIKey KRFOYOCNRILWAO-UHFFFAOYSA-N

Molecular Weight

209.68