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:17
Name:Epoxiconazole
Description:
Labels:
CAS:
InChi Code:InChI=1/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2

Properties

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

ValueSource or prediction
1.9

experimental value

1.7

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

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

ValueSource or prediction
1.3

experimental value

1.2

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

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