Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90991973

Structure

InChI Key XUHWMEBMZCGMMW-UHFFFAOYSA-N
Smiles O=C(C1CCCC1Cl)C2CCCC2Cl
InChI
InChI=1/C11H16Cl2O/c12-9-5-1-3-7(9)11(14)8-4-2-6-10(8)13/h7-10H,1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16Cl2O
Molecular Weight 234.06
AlogP 3.37
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 71501-41-2
NORMAN SUSDAT
PubChem 3018167