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=c1c2ccccc2[se]n1-c1ccc(F)cc1Cl

InChI InChI=1S/C13H7ClFNOSe/c14-10-7-8(15)5-6-11(10)16-13(17)9-3-1-2-4-12(9)18-16/h1-7H

InChIKey DURFILGUGXDQTF-UHFFFAOYSA-N

Molecular Weight

326.62