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 O=P(O)(O)Cc1cc(F)cc2nc(O)c(O)nc12

InChI InChI=1S/C9H8FN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)

InChIKey QBILFZCOIZVHFJ-UHFFFAOYSA-N

Molecular Weight

274.14