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:356
Name:ethyl prop-2-enoate
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Ethylacrylate
Labels:
CAS:140-88-5
InChi Code:InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3

Properties

M7.pEC50: Daphnia toxicity as log(1/LC50) [-log(mmol/L)]

ValueSource or prediction
1.36

experimental value

1.0137

Tab2.Model_7: Esters D. magna EC50 (Training set)

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