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 Cn1c(-c2ccc(NCCF)cc2)cc2ccccc21

InChI InChI=1S/C17H17FN2/c1-20-16-5-3-2-4-14(16)12-17(20)13-6-8-15(9-7-13)19-11-10-18/h2-9,12,19H,10-11H2,1H3

InChIKey JRJKUHMJNHFTEV-UHFFFAOYSA-N

Molecular Weight

268.33