Molecule ID: mol2921

SMILES: Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1

InChI: InChI=1S/C32H39N3O/c1-25-11-10-12-26(2)30(25)31(36)33-23-19-32(3,20-24-33)34-21-17-29(18-22-34)35(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-16,29H,17-24H2,1-3H3

Experimental Macro pKa Values

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