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:1809
Name:3-(pyridin-3-yl)propan-1-ol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-(3-Pyridyl)-1-propanol
Labels:
CAS:2859-67-8
InChi Code:InChI=1S/C8H11NO/c10-6-2-4-8-3-1-5-9-7-8/h1,3,5,7,10H,2,4,6H2

Properties

M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

ValueSource or prediction
2.96

experimental value

3.4004

Tab2.Model_1: P. promelas LC50 (Training set)

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