Structure-Property Correlation Equation: V. Estimations of the Distribution Factors of Molecules Containing Several Polar Groups in the Octanol-Water System
Authors: Golovanov, I.B.; Tsygankova, I.G.
Source: Russian Journal of General Chemistry, Volume 71, Number 5, May 2001 , pp. 712-717(6)
Publisher: MAIK Nauka/Interperiodica
Abstract:A simple structure-property correlation equation was suggested for estimating the distribution factors of molecules in the octanol-water system. The presence of several polar groups in molecules requires inclusion of additional terms taking into account their interaction. Their values are approximately estimated from a limited set of test parameters.
Document Type: Regular Paper
Affiliations: Institute of Theoretical and Experimental Biophysics, Russian Academy of Sciences, Pushchino, Moscow oblast, Russia
Publication date: 2001-05-01