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:86
Name:Methyl ethyl ketone
Description:
Labels:
CAS:78-93-3
InChi Code:InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3

Properties

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

ValueSource or prediction
0.94

experimental value

0.57

Table.8: Final model (Training set)

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