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:77
Name:1,1,1-Trichloroethane
Description:In the article descriptor values for 1,1,1-Trichloroethane and 1-Naphthol were swapped
Labels:
CAS:71-55-6
InChi Code:InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3

Properties

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

ValueSource or prediction
-0.43

experimental value

0.3

Table.8: Final model (Training set)

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