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:611
Name:2,3,4-trichloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,3,4-trichlorobiphenyl (PCB 21)
Labels:
CAS:25323-68-6
InChi Code:InChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
3.6802

experimental value

2.5475

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

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