dihexa predicted pka

dihexa predicted pka prediction using quantum mechanics and machine learning pKa prediction in non‐aqueous solvents

Name: dihexa predicted pka prediction using quantum mechanics and machine learning pKa prediction in non‐aqueous solvents
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SKU: 17922908950
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pKa prediction in nonaqueous solvents Zheng 2025 Journal of Computational Chemistry Wiley Online Library Dihexa 1401708 83 5 BGC70883 Biosynth Table 8 from Prediction of pKa Values for Aliphatic Carboxylic Acids and Alcohols with Empirical Atomic Charge Descriptors Semantic Scholar What pka would you guys estimate and why? I don't know if I should be using the pka of 11 or 36 for molecules with NH2. I thinkI was made aware of Compounds considered for theoretical pKa calculation Download Scientific Diagram

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