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Re: cLogD [message #956 is a reply to message #955] Tue, 16 June 2020 22:15 Go to previous messageGo to previous message
thomas is currently offline  thomas
Messages: 523
Registered: June 2014
Senior Member
cLogD requires a pKa prediction, which DataWarrior cannot do itself yet. However, DataWarrior may use the commercial ChemAxon pKa-plugin to do the prediction. If the DataWarrior installation folder contains a capka.jar file, which contains the needed ChemAxon software, then cLogD and pKa prediction are enabled.
 
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