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:96
Name:2,3,6-Trichlorophenol
Description:In the article descriptor values for 4-Nitrophenol and 2,3,6-Trichlorophenol were swapped
Labels:
CAS:933-75-5
InChi Code:InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H

Properties

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

ValueSource or prediction
-0.51

experimental value

-0.83

Table.8: Final model (Training set)

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