Molecule ID: mol20575

SMILES: COc1cccc(C(=O)NCCN2CCN(c3ccc(C#N)cc3)CC2)c1

InChI: InChI=1S/C21H24N4O2/c1-27-20-4-2-3-18(15-20)21(26)23-9-10-24-11-13-25(14-12-24)19-7-5-17(16-22)6-8-19/h2-8,15H,9-14H2,1H3,(H,23,26)

Experimental Macro pKa Values

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