Molecule ID: mol17225

SMILES: Cc1nc2ccccc2n1C1CC2CCC(C1)N2CC(=O)C1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1

InChI: InChI=1S/C33H42N4O2/c1-23-34-28-12-8-9-13-29(28)37(23)27-20-25-14-15-26(21-27)36(25)22-30(38)33(24-10-6-5-7-11-24)16-18-35(19-17-33)31(39)32(2,3)4/h5-13,25-27H,14-22H2,1-4H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.37 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization