Molecule ID: mol16733

SMILES: COc1ccc(OC(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1

InChI: InChI=1S/C23H27N3O4/c1-16(26-21-15-20(29-3)14-17-7-5-12-24-22(17)21)6-4-13-25-23(27)30-19-10-8-18(28-2)9-11-19/h5,7-12,14-16,26H,4,6,13H2,1-3H3,(H,25,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.20 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization