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:57
Name:3-Phenylphenol
Description:
Labels:
CAS:580-51-8
InChi Code:InChI=1S/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H

Properties

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

ValueSource or prediction
-0.85

experimental value

-0.82

Table.8: Final model (Training set)

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