Molecule ID: mol19889

SMILES: COc1ccc(CCNCC(O)COc2ccc(-c3nc(CN4CCOCC4)c[nH]3)cc2)cc1OC

InChI: InChI=1S/C27H36N4O5/c1-33-25-8-3-20(15-26(25)34-2)9-10-28-17-23(32)19-36-24-6-4-21(5-7-24)27-29-16-22(30-27)18-31-11-13-35-14-12-31/h3-8,15-16,23,28,32H,9-14,17-19H2,1-2H3,(H,29,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.54 Baltruschat ChEMBL 3 » 2
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Charge States and Microspecies Visualization