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

Structure

InChI Key VJWJSBXWCZQODM-UHFFFAOYSA-N
Smiles CC1OCC2C(CO1)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl
InChI
InChI=1S/C11H10Cl6O2/c1-4-18-2-5-6(3-19-4)10(15)8(13)7(12)9(5,14)11(10,16)17/h4-6H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H10Cl6O2
Molecular Weight 383.88
AlogP 4.46
Hydrogen Bond Acceptor 2.0
Polar Surface Area 18.46
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 2592-62-3
NORMAN SUSDAT