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:102
Name:sodium 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate
Description:
Labels:tested_1999, Training
CAS:577-11-7
InChi Code:InChI=1S/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1

Properties

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

ValueSource or prediction
1.47985284

experimental value

1.972131

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