Revue des Sciences Fondamentales Appliquées
Volume 8, Numéro 3, Pages 1182-1192
2016-09-01
Authors : Ahmedi R. . Lanez T. .
Octanol/water partition coefficients P of several substituted ferrocene were calculated on the basis of the adaptation of the existing XlogPv2.0 approach. The predicted of calculated partition coefficients values of logP for selected ferrocene derivatives was compared with known experimental values taken from literature.The shown Results confirmed that the calculated partition coefficients were in good accord with experimental values. The average of absolute error is 0.12, and the obtained correlation coefficient value R^2for the linear dependencies between experimental and calculated partitions coefficients is 0.977.
Experimental logP, theoretical partition coefficient, ferrocene derivatives, lipophilicity, QSAR
Ahmedi R.
.
Lanez T.
.
pages 183-193.
Souyei B.
.
pages 217-224.
Rahim O.
.
Ben Chenna A.
.
Zaiz T.
.
Chaouch K.
.
Lanez T.
.
pages 210-223.
Hamimed A
.
Benslimane M
.
Khaldi A
.
Nehal L
.
Zaagane M
.
pages 179-195.
Zegait Rachid
.
Achour Bachir
.
pages 369-383.