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:115
Name:sodium 2-(dodecyl-dimethylazaniumyl)acetate chloride
Description:
Labels:tested_2004, Training
CAS:683-10-3
InChi Code:InChI=1S/C16H33NO2.ClH.Na/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19;;/h4-15H2,1-3H3;1H;/q;;+1/p-1

Properties

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

ValueSource or prediction
2.80191399

experimental value

2.898866

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