Abstract
Octanol/water partition coefficients P of several substituted ferrocene were calculated on the basis of the adaptation of the existing XlogPv2.0 approach. Our prediction of obtained theoretical partition coefficients values of logP for substituted ferrocene was confirmed by comparison with known experimental values obtained mainly from literature.The shown Results confirmed that the calculated partition coefficients were in good agreement with experimental values. The average of absolute error is 0.12, and the obtained correlation coefficient value for the linear dependencies between experimental and calculated partitions coefficients is 0.977.
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