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

Structure

InChI Key VMNNMBZKONGDDQ-UHFFFAOYSA-N
Smiles ClC1=C(Cl)C2(Cl)C3C4OC4CC3C1(Cl)C2(Cl)Cl
InChI
InChI=1S/C10H6Cl6O/c11-6-7(12)9(14)4-2(1-3-5(4)17-3)8(6,13)10(9,15)16/h2-5H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H6Cl6O1
Molecular Weight 351.85
AlogP 4.24
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.53
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 6058-23-7
NORMAN SUSDAT