10967/193 - QDB Compounds

QsarDB Repository

Langeron, J.; Blondel, A.; Sayen, S.; Hénon, E.; Couderchet, M.; Guillon, E. Molecular properties affecting the adsorption coefficient of pesticides from various chemical families. Environ. Sci. Pollut. Res. 2014, 21, 9727–9741.

Compound

ID:4
Name:Benalaxyl
Description:
Labels:
CAS:
InChi Code:InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3

Properties

logKdS1: Soil adsorption coefficient for soil 1 [log(l/kg)] i

ValueSource or prediction
1.4

experimental value

1.82

Eq.5: Model for pesticides for soil 1 (Training set)

logKdS2: Soil adsorption coefficient for soil 2 [log(l/kg)] i

ValueSource or prediction
1

experimental value

1.3

Eq.7: Model for pesticides for soil 2 (Training set)

Links to External Resources