Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30165075

Structure

InChI Key WKKHCCZLKYKUDN-UHFFFAOYSA-N
Smiles OCc1c(Cl)cccc1Cl
InChI
InChI=1S/C7H6Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6Cl2O1
Molecular Weight 175.98
AlogP 2.49
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 15258-73-8
NORMAN SUSDAT
PubChem 27156
ChemSpider 25276.0