Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key AHTDISBPEICIPT-UHFFFAOYSA-N
Smiles ClC(Cl)(Cl)C=1C=CC=CC1C=C
InChI
InChI=1/C9H7Cl3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h2-6H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H7Cl3
Molecular Weight 219.96
AlogP 4.16
Number of Rotational Bond 1.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 61465-75-6
NORMAN SUSDAT
PubChem 3017261