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 CC1Nc2ccc(-c3ccc(F)c(Cl)c3)cc2C(C)(C)O1

InChI InChI=1S/C17H17ClFNO/c1-10-20-16-7-5-11(8-13(16)17(2,3)21-10)12-4-6-15(19)14(18)9-12/h4-10,20H,1-3H3

InChIKey LPXGYQQVIMWYFD-UHFFFAOYSA-N

Molecular Weight

305.78