Molecule ID: mol16479

SMILES: CN1CCCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3ccsc3n2)CC1

InChI: InChI=1S/C24H32N6S/c1-28-11-5-12-30(16-15-28)24-26-22(21-10-17-31-23(21)27-24)25-20-8-13-29(14-9-20)18-19-6-3-2-4-7-19/h2-4,6-7,10,17,20H,5,8-9,11-16,18H2,1H3,(H,25,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.28 Baltruschat ChEMBL 3 » 2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization