Keyword(s): Human Metabolites
Molecule Category Free-form
UNII IXL47709VM
EPA CompTox DTXSID5074137

Structure

InChI Key QHZSDTDMQZPUKC-UHFFFAOYSA-N
Smiles Clc1cc(Cl)cc(c1)-c1ccccc1
InChI
InChI=1S/C12H8Cl2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H8Cl2
Molecular Weight 222.0
AlogP 4.66
Number of Rotational Bond 1.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 34883-41-5
NORMAN SUSDAT
FDA SRS IXL47709VM
PubChem 36981
ChemSpider 33933.0