Molecule ID: mol2875

SMILES: COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2

InChI: InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)

Experimental Macro pKa Values

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