Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80885736

Structure

InChI Key LXEOQHPAKLYXTH-UHFFFAOYSA-N
Smiles ClCC(Cl)OC
InChI
InChI=1/C3H6Cl2O/c1-6-3(5)2-4/h3H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6Cl2O
Molecular Weight 127.98
AlogP 1.44
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 41683-62-9
NORMAN SUSDAT
PubChem 162049