Molecule ID: mol2961

SMILES: N#Cc1ncc2cc(COc3cccc(CCC(=O)O)c3)n(CCC3CCCCC3)c2n1

InChI: InChI=1S/C25H28N4O3/c26-15-23-27-16-20-14-21(17-32-22-8-4-7-19(13-22)9-10-24(30)31)29(25(20)28-23)12-11-18-5-2-1-3-6-18/h4,7-8,13-14,16,18H,1-3,5-6,9-12,17H2,(H,30,31)

Experimental Macro pKa Values

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