Molecule ID: mol16439

SMILES: CN1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)CN4CCN(C)CC4)cc2C3=O)CC1

InChI: InChI=1S/C28H34N6O4/c1-31-7-11-33(12-8-31)17-25(35)29-19-3-5-21-23(15-19)27(37)22-6-4-20(16-24(22)28(21)38)30-26(36)18-34-13-9-32(2)10-14-34/h3-6,15-16H,7-14,17-18H2,1-2H3,(H,29,35)(H,30,36)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.50 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization