Molecule ID: mol18194

SMILES: COc1cc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc(OC)c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization