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

Structure

InChI Key DFCDXLUCVONGJW-UHFFFAOYSA-N
Smiles OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C1(O)c2ccc(O)cc2Oc2cc(O)ccc12
InChI
InChI=1S/C20H10Cl4O6/c21-15-13(19(27)28)14(16(22)18(24)17(15)23)20(29)9-3-1-7(25)5-11(9)30-12-6-8(26)2-4-10(12)20/h1-6,25-26,29H,(H,27,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H10Cl4O6
Molecular Weight 485.92
AlogP 5.8
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 107.22
Heavy Atoms 30.0

Cross References

Resources Reference
NORMAN SUSDAT