Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7067877

Structure

InChI Key CLYZNABPUKUSDX-UHFFFAOYSA-N
Smiles ClC(Cl)(Cl)Oc1ccccc1
InChI
InChI=1S/C7H5Cl3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Cl3O1
Molecular Weight 209.94
AlogP 3.39
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 9.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 34888-05-6
NORMAN SUSDAT
PubChem 40773
ChemSpider 37242.0