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=C(Nc1c(F)cc(F)cc1Br)c1cc(C2CC2)on1

InChI InChI=1S/C13H9BrF2N2O2/c14-8-3-7(15)4-9(16)12(8)17-13(19)10-5-11(20-18-10)6-1-2-6/h3-6H,1-2H2,(H,17,19)

InChIKey LGUWQIBEXYYXRO-UHFFFAOYSA-N

Molecular Weight

343.13