Molecule ID: mol18195

SMILES: COc1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1OC

InChI: InChI=1S/C26H29N3O4/c1-31-24-7-6-19(16-25(24)32-2)18-33-23-5-3-4-21(17-23)28-26(30)20-10-14-29(15-11-20)22-8-12-27-13-9-22/h3-9,12-13,16-17,20H,10-11,14-15,18H2,1-2H3,(H,28,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization