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:466
Name:(propan-2-yl)benzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: benzene, (1-methylethyl)-
Labels:
CAS:98-82-8
InChi Code:InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
0.22223

experimental value

0.1316

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

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