Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M5KQG8S8LA
EPA CompTox DTXSID3066136

Structure

InChI Key ZDCIHNWVXROPMN-UHFFFAOYSA-N
Smiles ClC(=O)Oc1cc(Cl)c(Cl)cc1Cl
InChI
InChI=1S/C7H2Cl4O2/c8-3-1-5(10)6(2-4(3)9)13-7(11)12/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H2Cl4O2
Molecular Weight 257.88
AlogP 4.38
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 16947-69-6
NORMAN SUSDAT
FDA SRS M5KQG8S8LA
PubChem 85650
ChemSpider 77245.0