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:448
Name:naphthalen-2-amine
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-naphthalenamine
Labels:
CAS:91-59-8
InChi Code:InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
-1.41537

experimental value

-1.0671

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

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