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

Structure

InChI Key DOJBVYHBEUGAGU-UHFFFAOYSA-N
Smiles Oc1ccc2c(Cl)cc(Cl)cc2c1O
InChI
InChI=1S/C10H6Cl2O2/c11-5-3-7-6(8(12)4-5)1-2-9(13)10(7)14/h1-4,13-14H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H6Cl2O2
Molecular Weight 227.97
AlogP 3.56
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 14.0

Cross References

Resources Reference
NORMAN SUSDAT