10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:614
Name:2,2',3,4,5,6-hexachloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 3,3',4,4',5,5'-hexachlorobiphenyl (PCB 169)
Labels:
CAS:26601-64-9
InChi Code:InChI=1S/C12H4Cl6/c13-6-4-2-1-3-5(6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
4.4986

experimental value

3.7304

Tab2.Model_3: Global half-life index (Training set)

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