Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50166665

Structure

InChI Key VKISJJBQCWTCFE-UHFFFAOYSA-N
Smiles CCOC(=O)c1cc(Cl)c(OC)c(Cl)c1
InChI
InChI=1S/C10H10Cl2O3/c1-3-15-10(13)6-4-7(11)9(14-2)8(12)5-6/h4-5H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10Cl2O3
Molecular Weight 248.0
AlogP 3.18
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 35.53
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 15945-28-5
NORMAN SUSDAT
PubChem 85200
ChemSpider 76835.0