Molecule ID: mol16492

SMILES: COc1cc2nc(N3CCCN(C)CC3)cc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC

InChI: InChI=1S/C29H39N5O2/c1-32-12-7-13-34(17-16-32)29-20-26(24-18-27(35-2)28(36-3)19-25(24)31-29)30-23-10-14-33(15-11-23)21-22-8-5-4-6-9-22/h4-6,8-9,18-20,23H,7,10-17,21H2,1-3H3,(H,30,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization