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note
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Newer calculations with the latest version of ClogP, v.4.0 give improved lipophilicity predictions for all compounds leading to the following values: 1a = 2.71, 1b = 3.21, 1c = 3.88, 1d = 4.78, 1e = 2.54, 1f = 3.04, 2a = 2.94, 2b = 3.48, 2c = 4.11, 3a = 2.99, 3b = 3.26, 4a = 3.22, 4c = 4.39. Except for the 2-series the agreement with the measured values is acceptable.
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38
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0002326531
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Hydrogen bond strength estimation by means of hybot
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