Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:36 UTC
Update Date2025-03-21 18:38:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00119064
Frequency21.9
Structure
Chemical FormulaC15H13Cl2N
Molecular Mass277.0425
SMILESCN1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChI KeySEJNJNQXPZDGKG-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
  • dialkylarylamines
  • dichlorobenzenes
  • hydrocarbon derivatives
  • organochlorides
  • organopnictogen compounds
  • Substituents
  • aryl chloride
  • chlorobenzene
  • monocyclic benzene moiety
  • azacycle
  • indole
  • organochloride
  • organohalogen compound
  • aryl halide
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1,2-dichlorobenzene
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • dialkylarylamine
  • amine
  • tertiary amine