Molecule ID: mol16484

SMILES: CN1CCCN(c2nc3c(c(NC4CCN(Cc5ccccc5)CC4)n2)CCC3)CC1

InChI: InChI=1S/C25H36N6/c1-29-13-6-14-31(18-17-29)25-27-23-10-5-9-22(23)24(28-25)26-21-11-15-30(16-12-21)19-20-7-3-2-4-8-20/h2-4,7-8,21H,5-6,9-19H2,1H3,(H,26,27,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.62 Baltruschat ChEMBL 3 » 2
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Charge States and Microspecies Visualization