Structure-property correlation equation: IV. Estimation of the logarithm of the distribution factor of flexible hydrocarbon molecules in the octanol-water system

被引：0

作者：

Golovanov, IB ^{[1
]}

Tsygankova, IG ^{[1
]}

机构：

[1] Russian Acad Sci, Inst Theoret & Expt Biophys, Pushchino 142292, Moscow Oblast, Russia

来源：

RUSSIAN JOURNAL OF GENERAL CHEMISTRY | 2001年 / 71卷 / 04期

关键词：

D O I：

10.1023/A:1012358529404

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A simple structure-property correlation equation was suggested for estimating the distribution factors of compounds in the octanol-water system. The ways of taking into account the conformational features of molecules are discussed. The parameters of the correlation equation are determined from a limited set of test examples.

引用

页码：500 / 504

页数：5

共 11 条

[1] Structure-Property Correlation Equation: IV. Estimation of the Logarithm of the Distribution Factor of Flexible Hydrocarbon Molecules in the Octanol-Water System
I. B. Golovanov
I. G. Tsygankova
Russian Journal of General Chemistry, 2001, 71 : 500 - 504
[2] Assessment of the distribution of peptides in the octanol-water system by a structure-property correlation
Tsygankova, I.G.
Zhurnal Fizicheskoj Khimii, 2002, 76 (11): : 2012 - 2015
[3] Structure-property correlation equation: III. Distribution factors of organic molecules of various classes in the octanol-water system
Golovanov, IB
Tsygankova, IG
RUSSIAN JOURNAL OF GENERAL CHEMISTRY, 2000, 70 (02) : 206 - 213
[4] Assessment of the distribution coefficient of peptides in the octanol-water system by a structure-property correlation
Tsygankova, IG
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY, 2002, 76 (11): : 1829 - 1831
[5] Structure-property correlation equation: V. Estimations of the distribution factors of molecules containing several polar groups in the octanol-water system
Golovanov, IB
Tsygankova, IG
RUSSIAN JOURNAL OF GENERAL CHEMISTRY, 2001, 71 (05) : 712 - 717
[6] Structure-Property Correlation Equation: V. Estimations of the Distribution Factors of Molecules Containing Several Polar Groups in the Octanol-Water System
I. B. Golovanov
I. G. Tsygankova
Russian Journal of General Chemistry, 2001, 71 : 712 - 717
[7] Correlation relationship structure-property. Octanol-water partition coefficient for organic molecules of different classes
Golovanov, IB
Ivanitskii, GR
Tsygankova, IG
DOKLADY AKADEMII NAUK, 1998, 359 (06) : 823 - 827
[8] Structure-Property Correlation Equation: VI. Accessible Surface Areas of Hydrocarbon Molecules and Simple Procedures for Their Approximate Estimation
I. B. Golovanov
I. G. Tsygankova
Russian Journal of General Chemistry, 2001, 71 : 833 - 838
[9] Structure-property correlation equation: VI. Accessible surface areas of hydrocarbon molecules and simple procedures for their approximate estimation
Golovanov, IB
Tsygankova, IG
RUSSIAN JOURNAL OF GENERAL CHEMISTRY, 2001, 71 (06) : 833 - 838
[10] Structure-property correlation equation: II. Estimations of some physicochemical properties of hydrocarbon molecules
Golovanov, IB
Tsygankova, IG
RUSSIAN JOURNAL OF GENERAL CHEMISTRY, 1999, 69 (12) : 1928 - 1932

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