Molecule ID: mol17535

SMILES: COc1ccc(N2CCN(CCCCNC(=O)c3ccc4nonc4c3)CC2)cc1

InChI: InChI=1S/C22H27N5O3/c1-29-19-7-5-18(6-8-19)27-14-12-26(13-15-27)11-3-2-10-23-22(28)17-4-9-20-21(16-17)25-30-24-20/h4-9,16H,2-3,10-15H2,1H3,(H,23,28)

Experimental Macro pKa Values

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