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 N[C@H]1Cc2c(ccc3cc(Br)ccc23)O[C@@H]1c1cc(F)c(F)cc1F

InChI

InChI=1S/C19H13BrF3NO/c20-10-2-3-11-9(5-10)1-4-18-12(11)7-17(24)19(25-18)13-6-15(22)16(23)8-14(13)21/h1-6,8,17,19H,7,24H2/t17-,19+/m0/s1

InChIKey RMHQXDTZYSOTEG-PKOBYXMFSA-N

Molecular Weight

408.22