Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00668245

Structure

InChI Key HCPWSZPHLYSAAF-UHFFFAOYSA-N
Smiles CC(=O)OCOC(CCl)CCl
InChI
InChI=1S/C6H10Cl2O3/c1-5(9)10-4-11-6(2-7)3-8/h6H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10Cl2O3
Molecular Weight 200.0
AlogP 1.37
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 35.53
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 89281-73-2
NORMAN SUSDAT
PubChem 45108266
ChemSpider 23346170.0