Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10936422

Structure

InChI Key RUUBIFVWPACNLY-UHFFFAOYSA-N
Smiles ClC(Cl)C(O)O
InChI
InChI=1/C2H4Cl2O2/c3-1(4)2(5)6/h1-2,5-6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4Cl2O2
Molecular Weight 129.96
AlogP 0.1
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 40.46
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 16086-14-9
NORMAN SUSDAT
PubChem 85275