Molecule ID: mol2887

SMILES: CN(C)CC1CCc2cc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)ccc2C1

InChI: InChI=1S/C26H27FN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)

Experimental Macro pKa Values

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