Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XP3A32Q3QN
EPA CompTox DTXSID70187337

Structure

InChI Key WWTZHEACMKQZDG-UHFFFAOYSA-N
Smiles CC(=O)C(Cl)(Cl)C(=O)C
InChI
InChI=1S/C5H6Cl2O2/c1-3(8)5(6,7)4(2)9/h1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6Cl2O2
Molecular Weight 167.97
AlogP 1.34
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 34.14
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 33657-50-0
NORMAN SUSDAT
FDA SRS XP3A32Q3QN
PubChem 118520
ChemSpider 105929.0