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:16
Name:Toluene
Description:In the article descriptor values for Toluene and 2,3-Dihydroxybenzoic acid were swapped
Labels:
CAS:108-88-3
InChi Code:InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3

Properties

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

ValueSource or prediction
0

experimental value

0.12

Table.8: Final model (Training set)

Links to External Resources