Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2W3T38NHV4
EPA CompTox DTXSID50183216

Structure

InChI Key MASXONVJEAXEIV-UHFFFAOYSA-N
Smiles CCCCOC(=O)C(Cl)Cl
InChI
InChI=1S/C6H10Cl2O2/c1-2-3-4-10-6(9)5(7)8/h5H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10Cl2O2
Molecular Weight 184.01
AlogP 2.13
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 26.3
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 29003-73-4
NORMAN SUSDAT
FDA SRS 2W3T38NHV4
PubChem 95921
ChemSpider 86594.0