Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70233702

Structure

InChI Key OVAZWESSMNUVSU-UHFFFAOYSA-N
Smiles CCOc1c(Cl)ccc(Cl)c1
InChI
InChI=1S/C8H8Cl2O/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8Cl2O1
Molecular Weight 190.0
AlogP 3.39
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 84697-03-0
NORMAN SUSDAT
PubChem 3020072
ChemSpider 2287070.0