Molecule ID: mol2897

SMILES: Cc1cc(C)c2cc(C(=O)NC3CCN(C)CC3)[nH]c2c1

InChI: InChI=1S/C17H23N3O/c1-11-8-12(2)14-10-16(19-15(14)9-11)17(21)18-13-4-6-20(3)7-5-13/h8-10,13,19H,4-7H2,1-3H3,(H,18,21)

Experimental Macro pKa Values

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