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

Structure

InChI Key MQDFEAPKHRGGSK-UHFFFAOYSA-N
Smiles Oc1cc2cccc3nc4-c5c(C(=O)n4c(c1O)c23)c(Cl)c(Cl)c(Cl)c5Cl
InChI
InChI=1S/C18H6Cl4N2O3/c19-11-9-10(12(20)14(22)13(11)21)18(27)24-15-8-5(4-7(25)16(15)26)2-1-3-6(8)23-17(9)24/h1-4,25-26H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H6Cl4N2O3
Molecular Weight 437.91
AlogP 5.92
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Polar Surface Area 73.13
Heavy Atoms 27.0

Cross References

Resources Reference
NORMAN SUSDAT