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)c1ccc(C2CCNC/C2=N/OCc2ccccc2Cl)cc1

InChI

InChI=1S/C19H18ClF3N2O/c20-17-4-2-1-3-14(17)12-26-25-18-11-24-10-9-16(18)13-5-7-15(8-6-13)19(21,22)23/h1-8,16,24H,9-12H2/b25-18-

InChIKey RIISFISZNKVXOC-BWAHOGKJSA-N

Molecular Weight

382.81