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:1801
Name:2-ethoxyethyl 2-methylprop-2-enoate
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Ethoxyethyl methacrylate
Labels:
CAS:2370-63-0
InChi Code:InChI=1S/C8H14O3/c1-4-10-5-6-11-8(9)7(2)3/h2,4-6H2,1,3H3

Properties

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

ValueSource or prediction
3.76

experimental value

3.4253

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

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