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:1
Name:4-Nitrophenol
Description:In the article descriptor values for 4-Nitrophenol and 2,3,6-Trichlorophenol were swapped
Labels:
CAS:100-02-7
InChi Code:InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H

Properties

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

ValueSource or prediction
-0.51

experimental value

0.04

Table.8: Final model (Training set)

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