Molecule ID: mol16493

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

InChI: InChI=1S/C28H37N5O2/c1-31-13-15-33(16-14-31)28-19-25(23-17-26(34-2)27(35-3)18-24(23)30-28)29-22-9-11-32(12-10-22)20-21-7-5-4-6-8-21/h4-8,17-19,22H,9-16,20H2,1-3H3,(H,29,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.84 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization