Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70997312

Structure

InChI Key KZDYLDNWCHKFLN-UHFFFAOYSA-N
Smiles O=C(Cl)C(C(=O)Cl)CC(C)C
InChI
InChI=1/C7H10Cl2O2/c1-4(2)3-5(6(8)10)7(9)11/h4-5H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10Cl2O2
Molecular Weight 196.01
AlogP 2.18
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 34.14
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 75956-48-8
NORMAN SUSDAT
PubChem 3018626