Keyword(s): Human Metabolites
Molecule Category Free-form
UNII BT223M491B
EPA CompTox DTXSID6059239

Structure

InChI Key LQGSWLJZAKVBJH-UHFFFAOYSA-N
Smiles Clc1ccc(Cc2ccc(Cl)cc2)cc1
InChI
InChI=1S/C13H10Cl2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H10Cl2
Molecular Weight 236.02
AlogP 4.58
Number of Rotational Bond 2.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 101-76-8
NORMAN SUSDAT
FDA SRS BT223M491B
PubChem 7576
ChemSpider 7295.0