Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50888254

Structure

InChI Key VHHGLRZRRBYTNE-UHFFFAOYSA-N
Smiles ClCC(=O)C1(Cl)CC1
InChI
InChI=1S/C5H6Cl2O/c6-3-4(8)5(7)1-2-5/h1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6Cl2O1
Molecular Weight 151.98
AlogP 1.57
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 120983-72-4
NORMAN SUSDAT
PubChem 11062580
ChemSpider 9237733.0