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=c1[nH]c2cc3c(O)ccnc3c(Cl)c2nc1-c1ccccc1

InChI InChI=1S/C17H10ClN3O2/c18-13-15-10(12(22)6-7-19-15)8-11-16(13)21-14(17(23)20-11)9-4-2-1-3-5-9/h1-8H,(H,19,22)(H,20,23)

InChIKey VOMHQBOACAJSGP-UHFFFAOYSA-N

Molecular Weight

323.74