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.Cn1ccnc1-c1cc2ccccc2o1

InChI InChI=1S/C12H10N2O.ClH/c1-14-7-6-13-12(14)11-8-9-4-2-3-5-10(9)15-11;/h2-8H,1H3;1H

InChIKey WODFHPSXUIWNJZ-UHFFFAOYSA-N

Molecular Weight

234.69