10967/192 - QDB Compounds

QsarDB Repository

Kim, S.-J.; Lee, H.; Kwon, J.-H. Measurement of partition coefficients for selected polycyclic aromatic hydrocarbons between isolated plant cuticles and water. Sci. Total Environ. 2014, 494-495, 113–118.

Compound

ID:34
Name:Atrazine
Description:
Labels:
CAS:1912-24-9
InChi Code:InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)

Properties

logKcutw: Plant cuticles/water partition coefficient as logKcutw [L/kg(cut)]

ValueSource or prediction
1.9

Kirsch, T.; Kaffarnik, F.; Riederer, M.; Schreiber, L. Cuticular permeability of the three tree speciesPrunus IaurocerasusL.,Ginkgo bilobaL. andJuglans regiaL.: comparative investigation of the transport properties of intact leaves, isolated cuticles and reconstituted cuticular waxes. Journal of Experimental Botany 1997, 48, 1035–1045. https://doi.org/10.1093/jxb/48.5.1035

2.58

Eg.6: Model for nonionic organic chemicals (Training set)

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