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:5
Name:Bentazone
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3

Properties

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

ValueSource or prediction
0

experimental value

0.28

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

-0.14

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

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