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:20
Name:Fenuron
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)

Properties

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

ValueSource or prediction
0.3

experimental value

0.45

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

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

ValueSource or prediction
-0.3

experimental value

0.13

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

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