InChI (InChI)

InChI
Chemistry

International Chemical Identifier — a textual identifier for chemical substances providing a unique, deterministic representation. Consists of layers encoding formula, connectivity, hydrogen, charge, and stereochemistry.

Examples

  • InChI=1S/C9H8O4/...
  • InChIKey: 27-char hash
  • Used by PubChem, ChEMBL

Did You Know?

International Chemical Identifier — a textual identifier for chemical substances providing a unique, deterministic representation. Consists of layers encoding formula, connectivity, hydrogen, charge, and stereochemistry.