Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8JWE1AV71F
EPA CompTox DTXSID5026207

Structure

InChI Key HSQFVBWFPBKHEB-UHFFFAOYSA-N
Smiles Oc1ccc(Cl)c(Cl)c1Cl
InChI
InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/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 15950-66-0
NORMAN SUSDAT
FDA SRS 8JWE1AV71F
PubChem 27582
ChemSpider 25672.0