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

Structure

InChI Key VCYWRKSVJFJVTB-UHFFFAOYSA-L
Smiles Cl[Pb](Cl)(c1ccccc1)c2ccccc2
InChI
InChI=1/2C6H5.2ClH.Pb/c2*1-2-4-6-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2/rC12H10Cl2Pb/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H10Cl2Pb
Molecular Weight 431.99
AlogP 2.72
Number of Rotational Bond 2.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 2117-69-3
NORMAN SUSDAT