10967/193 - QDB Compounds

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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:21
Name:Fluometuron
Description:Trifluoromethyl group in the publication was wrongly in para-position
Labels:
CAS:
InChi Code:InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)

Properties

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

ValueSource or prediction
0.5

experimental value

0.93

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

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

ValueSource or prediction
0.4

experimental value

0.58

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

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