Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10205241

Structure

InChI Key YFKQRZRAQLZDAZ-UHFFFAOYSA-N
Smiles COc1c(Cl)cc(Cl)cc1O
InChI
InChI=1S/C7H6Cl2O2/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3,10H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6Cl2O2
Molecular Weight 191.97
AlogP 2.71
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 29.46
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 56680-89-8
NORMAN SUSDAT
PubChem 92353
ChemSpider 83376.0