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Does anyone know of any online free or cheap software that can roughly calculate the PKA of an organic compound? I'm working with a lot of synthetic cannabinoids that have a protonatable nitrogen and need roughly their PKA values.
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27 Οκτ 2017 · This page by Professor Hans Reich (UW-Madison) provides a collection of common structural motifs in Organic Chemistry and their corresponding pKa values.
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pKa Data Compiled by R. Williams pKa Values INDEX Inorganic 2 Phenazine 24 Phosphates 3 Pyridine 25 Carboxylic acids 4, 8 Pyrazine 26 Aliphatic 4, 8 Aromatic 7, 8 Quinoline 27 Phenols 9 Quinazoline 27 Alcohols and oxygen acids 10, 11 Quinoxaline 27 Amino Acids 12 Special Nitrogen Compounds 28 Peptides 13 Hydroxylamines 28 Nitrogen Compounds 14 ...
I previously used the trial version of GraphPad Prism for data analysis, but it has expired. Now, I have more data to analyze and would appreciate any guidance on obtaining free access to...
3 Ιαν 2017 · One can select a certain class of compounds to get an overview of the pKa range that they cover, or one can search for specific molecules, which can be entered by name, molecular formula, or structure by using the integrated structure editor.
