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

Structure

InChI Key YQYHCJZVJNOGBP-UPHRSURJSA-N
Smiles OC(=O)/C(Cl)=C/Cl
InChI
InChI=1S/C3H2Cl2O2/c4-1-2(5)3(6)7/h1H,(H,6,7)/b2-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H2Cl2O2
Molecular Weight 139.94
AlogP 1.39
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 37.3
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 13167-36-7
NORMAN SUSDAT