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(C(F)(F)F)nc2cc(Oc3cccc4ccccc34)c(Cl)cc21

InChI InChI=1S/C19H12ClF3N2O/c1-25-15-9-13(20)17(10-14(15)24-18(25)19(21,22)23)26-16-8-4-6-11-5-2-3-7-12(11)16/h2-10H,1H3

InChIKey SBJKMNXPQNLOAR-UHFFFAOYSA-N

Molecular Weight

376.77