Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:02 UTC
Update Date2025-03-25 00:49:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171653
Frequency0.5
Structure
Chemical FormulaC10H13Cl2N3
Molecular Mass245.0487
SMILESCN(CCCl)C(=N)Nc1ccc(Cl)cc1
InChI KeyIHRNGEGRWNGNRP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent chlorobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl chlorides
  • aryl chlorides
  • carboximidamides
  • guanidines
  • hydrocarbon derivatives
  • imines
  • organochlorides
  • organopnictogen compounds
  • Substituents
  • aryl chloride
  • chlorobenzene
  • guanidine
  • imine
  • alkyl chloride
  • organochloride
  • carboximidamide
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound