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:36
Name:Triadimenol
Description:
Labels:
CAS:55219-65-3
InChi Code:InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3

Properties

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

ValueSource or prediction
3.26

Sabljic, A.; Guesten, H.; Schoenherr, J.; Riederer, M. Modeling plant uptake of airborne organic chemicals. 1. Plant cuticle/water partitioning and molecular connectivity. Environmental Science & Technology 1990, 24, 1321–1326. http://dx.doi.org/10.1021/es00079a004

3.1

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

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