Estimating Octanol/water Partition Coefficient For Selected Ferrocene Derivatives Using Xlogpv2.0 Approach
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Date
2016-09-01
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University of Eloued جامعة الوادي
Abstract
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.
Description
Article in Journal of Fundamental and Applied Sciences Vol 08, N 03
Keywords
Experimental logP, theoretical partition coefficient, ferrocene derivatives, lipophilicity, QSAR
Citation
Article in Journal of Fundamental and Applied Sciences Vol 08, N 03