Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 33U8S4W98H
EPA CompTox DTXSID50195930

Structure

InChI Key FOXDMOFYUBDIFD-UHFFFAOYSA-N
Smiles ClC(Cl)c1ccccn1
InChI
InChI=1S/C6H5Cl2N/c7-6(8)5-3-1-2-4-9-5/h1-4,6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5Cl2N1
Molecular Weight 160.98
AlogP 2.56
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 12.89
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 4377-35-9
NORMAN SUSDAT
FDA SRS 33U8S4W98H
PubChem 78083
ChemSpider 70461.0