Molecule ID: mol16865

SMILES: COc1cccc(CNCCCNc2ccnc3cc(Oc4cccc(N(C)C)c4)ccc23)c1O

InChI: InChI=1S/C28H32N4O3/c1-32(2)21-8-5-9-22(17-21)35-23-11-12-24-25(13-16-31-26(24)18-23)30-15-6-14-29-19-20-7-4-10-27(34-3)28(20)33/h4-5,7-13,16-18,29,33H,6,14-15,19H2,1-3H3,(H,30,31)

Experimental Macro pKa Values

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