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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.

예시

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

알고 계셨나요?

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