Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PAS5VS9G3B
EPA CompTox DTXSID70164789

Structure

InChI Key ACNQJGLSENYFQJ-UHFFFAOYSA-N
Smiles ClC(Cl)c1cccc(Cl)c1
InChI
InChI=1S/C7H5Cl3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Cl3
Molecular Weight 193.95
AlogP 3.82
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 15145-69-4
NORMAN SUSDAT
FDA SRS PAS5VS9G3B
PubChem 84803
ChemSpider 76501.0