Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key ACHREEHAAAECOR-UHFFFAOYSA-N
Smiles [H+].[Cl-].Cc1ccc(NN)cc1C
InChI
InChI=1S/C8H12N2/c1-6-3-4-8(10-9)5-7(6)2/h3-5,10H,9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12N2
Molecular Weight 136.1
AlogP 1.59
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 38.05
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 60481-51-8
NORMAN SUSDAT