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:89
Name:sodium 1-ethoxy-1-oxohexadecane-2-sulfonate
Description:
Labels:tested_2000, Training
CAS:4016-24-4
InChi Code:InChI=1S/C18H36O5S.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(24(20,21)22)18(19)23-4-2;/h17H,3-16H2,1-2H3,(H,20,21,22);/q;+1/p-1

Properties

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

ValueSource or prediction
2.6996891

experimental value

2.939752

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