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

Structure

InChI Key OQMWNKDFIAFJEO-UHFFFAOYSA-N
Smiles ClC=C(c1ccc(Cl)cc1)c1ccccc1Cl
InChI
InChI=1S/C14H9Cl3/c15-9-13(10-5-7-11(16)8-6-10)12-3-1-2-4-14(12)17/h1-9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H9Cl3
Molecular Weight 281.98
AlogP 5.62
Number of Rotational Bond 2.0
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 14835-94-0
NORMAN SUSDAT
PubChem 84664
ChemSpider 20121167.0