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 FC(F)(F)c1cccc(-c2ccoc2C2=CN3CCC2CC3)c1

InChI InChI=1S/C18H16F3NO/c19-18(20,21)14-3-1-2-13(10-14)15-6-9-23-17(15)16-11-22-7-4-12(16)5-8-22/h1-3,6,9-12H,4-5,7-8H2

InChIKey ZMDWHSSHCTZQTD-UHFFFAOYSA-N

Molecular Weight

319.33