Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JDX1MEP6TI
EPA CompTox DTXSID40203533

Structure

InChI Key VLWJKVNMRMHPCC-UHFFFAOYSA-N
Smiles ClCCN(CCCl)Cc1ccccc1
InChI
InChI=1S/C11H15Cl2N/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11/h1-5H,6-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15Cl2N1
Molecular Weight 231.06
AlogP 2.97
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 3.24
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 55-51-6
NORMAN SUSDAT
FDA SRS JDX1MEP6TI
PubChem 5928
ChemSpider 5715.0