Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 64W2G7H6SA
EPA CompTox DTXSID3020170

Structure

InChI Key IDFLGSYEBJNWMK-UHFFFAOYSA-N
Smiles ClCOCCOCCl
InChI
InChI=1S/C4H8Cl2O2/c5-3-7-1-2-8-4-6/h1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8Cl2O2
Molecular Weight 157.99
AlogP 1.41
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 18.46
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 13483-18-6
NORMAN SUSDAT
FDA SRS 64W2G7H6SA
PubChem 61632
ChemSpider 55540.0