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 COc1ccccc1-c1cc(C(F)(F)F)nc(N2CCOCC2)n1

InChI InChI=1S/C16H16F3N3O2/c1-23-13-5-3-2-4-11(13)12-10-14(16(17,18)19)21-15(20-12)22-6-8-24-9-7-22/h2-5,10H,6-9H2,1H3

InChIKey PFXVPQCNGGTFIM-UHFFFAOYSA-N

Molecular Weight

339.32