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

Structure

InChI Key QZKHHZJSGGXTOR-UHFFFAOYSA-N
Smiles CCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(O)=O
InChI
InChI=1S/C11H8Cl4O4/c1-2-3-19-11(18)5-4(10(16)17)6(12)8(14)9(15)7(5)13/h2-3H2,1H3,(H,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H8Cl4O4
Molecular Weight 343.92
AlogP 4.57
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 63.6
Heavy Atoms 19.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 23113161