Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FDJ3RDX5VF
EPA CompTox DTXSID90194280

Structure

InChI Key WSHVQVCBPLNREW-UHFFFAOYSA-N
Smiles ClCC(=O)CC(=O)Cl
InChI
InChI=1S/C4H4Cl2O2/c5-2-3(7)1-4(6)8/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4Cl2O2
Molecular Weight 153.96
AlogP 0.95
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 34.14
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 41295-64-1
NORMAN SUSDAT
FDA SRS FDJ3RDX5VF
PubChem 3016262
ChemSpider 2284236.0