Molecule ID: mol2960

SMILES: N#Cc1ncc2cc(COc3ccc(C(=O)O)cc3)n(CCC3CCCCC3)c2n1

InChI: InChI=1S/C23H24N4O3/c24-13-21-25-14-18-12-19(15-30-20-8-6-17(7-9-20)23(28)29)27(22(18)26-21)11-10-16-4-2-1-3-5-16/h6-9,12,14,16H,1-5,10-11,15H2,(H,28,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.20 Novartis 0 » -1
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Charge States and Microspecies Visualization