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

Structure

InChI Key QMPJUPQCSWMOMB-UHFFFAOYSA-N
Smiles OC1C(O)C(Cl)=C(Cl)C(Cl)=C1Cl
InChI
InChI=1S/C6H4Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h5-6,11-12H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4Cl4O2
Molecular Weight 247.9
AlogP 2.1
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 12.0

Cross References

Resources Reference
NORMAN SUSDAT
ChemSpider 7822217.0