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 Brc1ccc(C2=CN3CCC2CC3)o1

InChI InChI=1S/C11H12BrNO/c12-11-2-1-10(14-11)9-7-13-5-3-8(9)4-6-13/h1-2,7-8H,3-6H2

InChIKey OTYJWRFICHGQJT-UHFFFAOYSA-N

Molecular Weight

254.13