Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T2GK7ZW2ED
EPA CompTox DTXSID60241715

Structure

InChI Key NNBALVIZMGWZHS-UHFFFAOYSA-N
Smiles Cc1cnc(C)c(Cl)n1
InChI
InChI=1S/C6H7ClN2/c1-4-3-8-5(2)6(7)9-4/h3H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H7Cl1N2
Molecular Weight 142.03
AlogP 1.75
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 95-89-6
NORMAN SUSDAT
FDA SRS T2GK7ZW2ED
PubChem 66771
ChemSpider 60137.0