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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:26 UTC
Update Date2025-03-25 00:54:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209151
Frequency0.5
Structure
Chemical FormulaC15H14ClN
Molecular Mass243.0815
SMILESCC1(c2ccccc2)CNc2ccc(Cl)cc21
InChI KeyIPKDRJQBKSPPTQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • indolines
  • organochlorides
  • organopnictogen compounds
  • secondary alkylarylamines
    • Substituents
  • aryl chloride
  • monocyclic benzene moiety
  • azacycle
  • indole
  • organochloride
  • secondary amine
  • organohalogen compound
  • secondary aliphatic/aromatic amine
  • aryl halide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • dihydroindole
  • amine