10967/167 - QDB Compounds

QsarDB Repository

Mombelli, E.; Pery, A. R. R. A Linear Model to Predict Chronic Effects of Chemicals on Daphnia magna. Bull. Environ. Contam. Toxicol. 2011, 87, 494–498.

Compound

ID:116
Name:2-ethylhexyl 2-methylprop-2-enoate
Description:
Labels:tested_1997, Training
CAS:688-84-6
InChi Code:InChI=1S/C12H22O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h11H,3,5-9H2,1-2,4H3

Properties

pEC50_chronic: 21-day chronic Daphnia toxicity as log(1/EC50) [log(L/mmol)] i

ValueSource or prediction
2.51925906

experimental value

2.220811

Tab1: QAAR with acute toxicity to Daphnia (Training set)

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