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:615
Name:2,2',3,3',4,5,6-heptachloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,2',3,3',4,5,6-heptachlorobiphenyl (PCB 173)
Labels:
CAS:28655-71-2
InChi Code:InChI=1S/C12H3Cl7/c13-5-3-1-2-4(7(5)14)6-8(15)10(17)12(19)11(18)9(6)16/h1-3H

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
4.4986

experimental value

4.1562

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

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