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:6
Name:2-Ethyl-1-hexanol
Description:In the article descriptor values for 2-Ethyl-1-hexanol and Formaldehyde were swapped
Labels:
CAS:104-76-7
InChi Code:InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3

Properties

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

ValueSource or prediction
0.08

experimental value

0.15

Table.8: Final model (Training set)

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