Molecule ID: mol16919

SMILES: COc1cccc(CNCCCNc2ccnc3cc(CCC(C)C)ccc23)c1O

InChI: InChI=1S/C25H33N3O2/c1-18(2)8-9-19-10-11-21-22(12-15-28-23(21)16-19)27-14-5-13-26-17-20-6-4-7-24(30-3)25(20)29/h4,6-7,10-12,15-16,18,26,29H,5,8-9,13-14,17H2,1-3H3,(H,27,28)

Experimental Macro pKa Values

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