Molecule ID: mol16685

SMILES: COc1ccc(-c2ccc(CCCNc3ccc(CN4CCC(O)CC4)cc3)nn2)cc1

InChI: InChI=1S/C26H32N4O2/c1-32-25-11-6-21(7-12-25)26-13-10-23(28-29-26)3-2-16-27-22-8-4-20(5-9-22)19-30-17-14-24(31)15-18-30/h4-13,24,27,31H,2-3,14-19H2,1H3

Experimental Macro pKa Values

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