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Re: Basic Nitrogen [message #1034 is a reply to message #1032]

Fri, 07 August 2020 17:14

nbehrnd
Messages: 240
Registered: June 2019

Senior Member

«Basic Nitrogen», as available under Chemistry -> From Chemical Structure -> Calculate
Properties and then index card «Functional Groups» reads that the threshold applied is
a pKa above 7. DW explicitly states that this a rough estimate.

The pKa estimation in the next tab, «Ionization» refers to the ChemAxon method. It is
very likely that this refers to the documentation at

https://docs.chemaxon.com/display/docs/pKa_calculation.html

which include worked examples as well as literature references, too.

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[Message index]

		Basic Nitrogen By: sansun on Fri, 07 August 2020 12:43
		Re: Basic Nitrogen By: nbehrnd on Fri, 07 August 2020 17:14
		Re: Basic Nitrogen By: thomas on Fri, 07 August 2020 18:18

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