Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6T7DUC2C8B
EPA CompTox DTXSID0026208

Structure

InChI Key WWGQHTJIFOQAOC-UHFFFAOYSA-N
Smiles Oc1cc(Cl)cc(Cl)c1Cl
InChI
InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3Cl3O1
Molecular Weight 195.92
AlogP 3.35
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 933-78-8
NORMAN SUSDAT
FDA SRS 6T7DUC2C8B
PubChem 13619
ChemSpider 13030.0