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:99
Name:2,4,5-Trichlorophenol
Description:
Labels:
CAS:95-95-4
InChi Code:InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H

Properties

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

ValueSource or prediction
-1.18

experimental value

-0.64

Table.8: Final model (Training set)

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