Keyword(s): Human Metabolites
Molecule Category Free-form
UNII W8BC83S7JK
EPA CompTox DTXSID1065683

Structure

InChI Key VWHNJDGWDOQJRM-UHFFFAOYSA-N
Smiles ClC(Cl)c1ccc(Cl)cc1
InChI
InChI=1S/C7H5Cl3/c8-6-3-1-5(2-4-6)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 13940-94-8
NORMAN SUSDAT
FDA SRS W8BC83S7JK
PubChem 84110
ChemSpider 75881.0