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 Nc1c2c(nc3ccc(Cl)cc13)C1CCC2C1

InChI InChI=1S/C14H13ClN2/c15-9-3-4-11-10(6-9)13(16)12-7-1-2-8(5-7)14(12)17-11/h3-4,6-8H,1-2,5H2,(H2,16,17)

InChIKey LIQUTBYXLQJUQH-UHFFFAOYSA-N

Molecular Weight

244.72