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:51
Name:Perylene
Description:
Labels:
CAS:198-55-0
InChi Code:InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H

Properties

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

ValueSource or prediction
6.5

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

6.55

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

Links to External Resources