Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30157096

Structure

InChI Key STIWEDICJHIFJT-UHFFFAOYSA-N
Smiles [Cl-].C1NNCc2ccccc12.[H+]
InChI
InChI=1S/C8H10N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-4,9-10H,5-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10N2
Molecular Weight 134.08
AlogP 0.79
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 24.06
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 13152-89-1
NORMAN SUSDAT
PubChem 83184
ChemSpider 75051.0