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 FC(F)(F)c1ccc2nn(Cc3ccc(Cl)cc3)nc2c1

InChI InChI=1S/C14H9ClF3N3/c15-11-4-1-9(2-5-11)8-21-19-12-6-3-10(14(16,17)18)7-13(12)20-21/h1-7H,8H2

InChIKey NJFVYZDBDUTOHZ-UHFFFAOYSA-N

Molecular Weight

311.69