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

Structure

InChI Key OHANHNSPGZXJBU-UHFFFAOYSA-N
Smiles OC1OCC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl
InChI
InChI=1S/C9H6Cl6O2/c10-4-5(11)8(13)3-2(1-17-6(3)16)7(4,12)9(8,14)15/h2-3,6,16H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H6Cl6O2
Molecular Weight 355.85
AlogP 3.41
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 29.46
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 1021-19-8
NORMAN SUSDAT