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:73
Name:2,3,3,4,4,5-hexamethylhexane-2-thiol
Description:
Labels:tested_1999, Training
CAS:25103-58-6
InChi Code:InChI=1S/C12H26S/c1-9(2)10(3,4)11(5,6)12(7,8)13/h9,13H,1-8H3

Properties

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

ValueSource or prediction
4.00528779

experimental value

3.775233

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

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