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 Fc1ncc(C2CC3CCC2N3)cc1-c1ccc(Cl)c(Cl)c1

InChI

InChI=1S/C17H15Cl2FN2/c18-14-3-1-9(6-15(14)19)13-5-10(8-21-17(13)20)12-7-11-2-4-16(12)22-11/h1,3,5-6,8,11-12,16,22H,2,4,7H2

InChIKey MSKFDCSXYJKRMY-UHFFFAOYSA-N

Molecular Weight

337.23