Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID9070666

Structure

InChI Key RJPFGDAVUZZKMS-UHFFFAOYSA-N
Smiles CCOc1c(Cl)cc(C)cc1Cl
InChI
InChI=1S/C9H10Cl2O/c1-3-12-9-7(10)4-6(2)5-8(9)11/h4-5H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10Cl2O1
Molecular Weight 204.01
AlogP 3.7
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 67828-41-5
NORMAN SUSDAT
PubChem 105726
ChemSpider 95290.0