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

Structure

InChI Key JIGSAVFJHYVUSZ-UHFFFAOYSA-N
Smiles ClC1=C(Cl)C2(Cl)C3CC4C(CCCC3C1(Cl)C2(Cl)Cl)C1(Cl)C(Cl)=C(Cl)C4(Cl)C1(Cl)Cl
InChI
InChI=1S/C18H12Cl12/c19-9-11(21)15(25)7-4-8-6(3-1-2-5(7)13(9,23)17(15,27)28)14(24)10(20)12(22)16(8,26)18(14,29)30/h5-8H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H12Cl12
Molecular Weight 647.72
AlogP 9.72
Heavy Atoms 30.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 101952242