Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T7QD52545O
EPA CompTox DTXSID7044710

Structure

InChI Key AYVZXDFCFQSWJD-UHFFFAOYSA-N
Smiles Cc1ccc(Cl)c(N)c1Cl
InChI
InChI=1S/C7H7Cl2N/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7Cl2N1
Molecular Weight 175.0
AlogP 2.88
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 64063-37-2
NORMAN SUSDAT
FDA SRS T7QD52545O
PubChem 116529
ChemSpider 101476.0