Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3LPU667T6P
EPA CompTox DTXSID10870615

Structure

InChI Key GKFWNPPZHDYVLI-UHFFFAOYSA-N
Smiles O=C(O)C(Cl)CCl
InChI
InChI=1/C3H4Cl2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4Cl2O2
Molecular Weight 141.96
AlogP 0.92
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 37.3
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 565-64-0
NORMAN SUSDAT
FDA SRS 3LPU667T6P
PubChem 11263