Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZR5C8QGQ8J
EPA CompTox DTXSID20163762

Structure

InChI Key IDTWYHVEGJBGPT-UHFFFAOYSA-N
Smiles NNc1c(Cl)cccc1Cl
InChI
InChI=1S/C6H6Cl2N2/c7-4-2-1-3-5(8)6(4)10-9/h1-3,10H,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6Cl2N2
Molecular Weight 175.99
AlogP 2.28
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 14763-24-7
NORMAN SUSDAT
FDA SRS ZR5C8QGQ8J
PubChem 84634
ChemSpider 76352.0