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:1305
Name:naphthalene-1,5-diamine
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.5-diaminonaphthalene
Labels:
CAS:2243-62-1
InChi Code:InChI=1S/C10H10N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H,11-12H2

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.524174539

experimental value

-0.7488

Tab2.Model_5: Metab. biotransf. fish (Training set)

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