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:103
Name:Protocatechuic acid
Description:
Labels:
CAS:99-50-3
InChi Code:InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)

Properties

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

ValueSource or prediction
0.25

experimental value

0.42

Table.8: Final model (Training set)

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