Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G46I9555FB
EPA CompTox DTXSID80181866

Structure

InChI Key OMZINLIPPVNUOG-UHFFFAOYSA-N
Smiles ClCc1c(Cl)ccc(Cl)c1
InChI
InChI=1S/C7H5Cl3/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Cl3
Molecular Weight 193.95
AlogP 3.73
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2745-49-5
NORMAN SUSDAT
FDA SRS G46I9555FB
PubChem 75976
ChemSpider 6942.0