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:765
Name:pyridazine-3,6-diol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Maleic hydrazine
Labels:
CAS:123-33-1
InChi Code:InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

ValueSource or prediction
0.45

experimental value

0.378

Tab2.Model_2: logKoc (Training set)

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