Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30961539

Structure

InChI Key OODRWLGKUBMFLZ-UHFFFAOYSA-N
Smiles O=C(Cl)C(OC1=CC=C(Cl)C=C1)(C)C
InChI
InChI=1/C10H10Cl2O2/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10Cl2O2
Molecular Weight 232.01
AlogP 3.26
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 41267-93-0
NORMAN SUSDAT
PubChem 2781312