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=C1c2cc(F)ccc2-n2c1nc1ccc(F)cc1c2=O

InChI InChI=1S/C15H6F2N2O2/c16-7-1-3-11-9(5-7)15(21)19-12-4-2-8(17)6-10(12)13(20)14(19)18-11/h1-6H

InChIKey PNIGSYVPVQBQOJ-UHFFFAOYSA-N

Molecular Weight

284.22