Molecule ID: mol16905

SMILES: COc1cccc(CNCCCNc2ccnc3cc(-c4ccccc4)ccc23)c1O

InChI: InChI=1S/C26H27N3O2/c1-31-25-10-5-9-21(26(25)30)18-27-14-6-15-28-23-13-16-29-24-17-20(11-12-22(23)24)19-7-3-2-4-8-19/h2-5,7-13,16-17,27,30H,6,14-15,18H2,1H3,(H,28,29)

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