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

Structure

InChI Key VMXADUILLVEXDI-UHFFFAOYSA-N
Smiles Cc1cc(Cl)cc2SC(C(=O)c12)=C1C(=O)c2c(cc(Cl)cc2C)S1=O
InChI
InChI=1S/C18H10Cl2O3S2/c1-7-3-9(19)5-11-13(7)15(21)17(24-11)18-16(22)14-8(2)4-10(20)6-12(14)25(18)23/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H10Cl2O3S2
Molecular Weight 407.94
AlogP 5.11
Hydrogen Bond Acceptor 4.0
Polar Surface Area 51.21
Heavy Atoms 25.0

Cross References

Resources Reference
NORMAN SUSDAT