Molecule ID: mol16468

SMILES: COc1cc2nc(N3CCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC

InChI: InChI=1S/C27H36N6O2/c1-31-13-15-33(16-14-31)27-29-23-18-25(35-3)24(34-2)17-22(23)26(30-27)28-21-9-11-32(12-10-21)19-20-7-5-4-6-8-20/h4-8,17-18,21H,9-16,19H2,1-3H3,(H,28,29,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization