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Information × Registration Number 0208U004220, 0105U001017 , R & D reports Title The investigation of the structure influence of N-heterocyclic compounds on its lipophilicity popup.stage_title Head Lutsyk Alexandr Ivanovich, Registration Date 20-02-2008 Organization The L.M.Litvinenko Institute of Physical-Organic Chemistry and Coal Chemistry popup.description2 Experimental data on the octanole/water distribution of N-heterocyclic compounds (carbazoles, [1,2,4]triazolo[4,3-b]pirydazines, isoquinolines), the acidity and salting out effect upon distribution have been obtained, as well as analysis of the applicability of existing forecast methods to these compounds has been conducted. Proceeding from results of statistical analysis, it has been demonstrated that the given set is an effective test for adequacy analysis of forecast models. A limited effectiveness of the existing forecast models has been shown. A combined approach to develop statistic forecast models with the use of unempirical quantum-chemical distribution parameters has been suggested. Product Description popup.authors popup.nrat_date 2020-04-02 Close