Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QX2J64S05F
EPA CompTox DTXSID80906137

Structure

InChI Key IZRKUJREXIKAQM-UHFFFAOYSA-N
Smiles O=CC(Cl)CCl
InChI
InChI=1/C3H4Cl2O/c4-1-3(5)2-6/h2-3H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4Cl2O
Molecular Weight 125.96
AlogP 1.03
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 10140-89-3
NORMAN SUSDAT
FDA SRS QX2J64S05F
PubChem 93058