Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QM6NHT1DB4
EPA CompTox DTXSID0068993

Structure

InChI Key UVEBHBUGJCCFRD-UHFFFAOYSA-N
Smiles Cc1cc(Cl)c(NN)c(C)c1
InChI
InChI=1S/C8H11ClN2/c1-5-3-6(2)8(11-10)7(9)4-5/h3-4,11H,10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11Cl1N2
Molecular Weight 170.06
AlogP 2.24
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 38.05
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 55034-69-0
NORMAN SUSDAT
FDA SRS QM6NHT1DB4
PubChem 108657
ChemSpider 97702.0