Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 85E96P2S3S
EPA CompTox DTXSID9045005

Structure

InChI Key IRSVDHPYXFLLDS-UHFFFAOYSA-N
Smiles ClCc1c(Cl)cc(Cl)cc1
InChI
InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(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 94-99-5
NORMAN SUSDAT
FDA SRS 85E96P2S3S
PubChem 7212
ChemSpider 6942.0