10967/110 - QDB Compounds

QsarDB Repository

Gramatica, P.; Papa, E. An Update of the BCF QSAR Model Based on Theoretical Molecular Descriptors. QSAR Comb. Sci. 2005, 24, 8, 935–960.

Compound

ID:97
Name:2,2',3,5,5',6'-Hexachlorobiphenyl
Description:
Labels:
CAS:52744-13-5
InChi Code:

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
5.54

experimental value

4.69

Eq2: Updated validated correlation (2005) (Validation set)