Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:41 UTC
Update Date2025-03-21 18:34:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00099690
Frequency27.5
Structure
Chemical FormulaC12H15Cl2N
Molecular Mass243.0582
SMILESNC1CCC(c2ccc(Cl)c(Cl)c2)CC1
InChI KeyGZLRHPKTVLWSEX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent dichlorobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • hydrocarbon derivatives
  • monoalkylamines
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aryl chloride
  • organochloride
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1,2-dichlorobenzene
  • primary aliphatic amine
  • organic nitrogen compound