Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30173998

Structure

InChI Key QVRUXRSUYSWFJN-UHFFFAOYSA-N
Smiles CCOC(=O)C(Cl)(Cl)C(=O)OCC
InChI
InChI=1S/C7H10Cl2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10Cl2O4
Molecular Weight 228.0
AlogP 1.29
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 52.6
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 20165-81-5
NORMAN SUSDAT
PubChem 88384
ChemSpider 79738.0