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Updated: Aug 18, 2026

A New Straightforward Method for Lipophilicity (logP) Measurement using 19F NMR Spectroscopy
Published on: January 30, 2019
Comparison of the octanol/water partition coefficients calculated by ClogP, ACDlogP and KowWin to experimentally
Stephen G Machatha1, Samuel H Yalkowsky
1College of Pharmacy, The University of Arizona, 1703 E. Mabel Street, Tucson, AZ 85721-0207, USA. machatha@pharmacy.arizona.edu
Abstract:
The experimental octanol/water partition coefficient data, of 108 compounds from the data set [Rytting, E., Lentz, K.A., Chen, X., Qian, F., Venkatesh, S., 2004. A quantitative structure-property relationship for predicting drug solubility in PEG 400/water cosolvent systems. Pharm. Res. 21, 237-244] was compared to calculated values using the computer programs ClogP, ACD/logPdb and KowWin. It was found that all the three programs have a user friendly interface but ClogP appears to be the more accurate predictor of log K(ow).
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