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 CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc(F)cc1-3

InChI InChI=1S/C19H18FNO/c1-11-9-19(2,3)21-16-6-5-13-14-8-12(20)4-7-17(14)22-10-15(13)18(11)16/h4-9,21H,10H2,1-3H3

InChIKey GXFYVOIWLKLUCK-UHFFFAOYSA-N

Molecular Weight

295.36