10967/200 - QDB Compounds

QsarDB Repository

Katritzky, A. R.; Kasemets, K.; Slavov, S.; Radzvilovits, M.; Tämm, K.; Karelson, M. Estimating the toxicities of organic chemicals in activated sludge process. Water Res. 2010, 44, 2451–2460.

Compound

ID:5
Name:Triethanolamine
Description:
Labels:
CAS:102-71-6
InChi Code:InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2

Properties

logEC50: Bioluminescent Shk1 aquatic toxicity as logEC50 [log(mmol/L)] i

ValueSource or prediction
1.8

experimental value

1.02

Table.8: Final model (Training set)

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