10967/114 - QDB Compounds

QsarDB Repository

Papa, E.; Villa, F.; Gramatica, P. Statistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in Pimephales promelas (Fathead Minnow). J. Chem. Inf. Model. 2005, 45, 5, 1256–1266.

Compound

ID:318
Name:2-Hydroxyethyl acrylate
Description:
Labels:
CAS:818-61-1
InChi Code:InChI=1S/C5H8O3/c1-2-5(7)8-4-3-6/h2,6H,1,3-4H2

Properties

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

ValueSource or prediction
4.384

experimental value

2.809

Eq9: General validated correlation, logP free (Training set)

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