Molecule ID: mol19758

SMILES: COc1ccc2c(c1)c(-c1ccc(=O)n(Cc3ccccc3)n1)c(C)n2CC(=O)O

InChI: InChI=1S/C23H21N3O4/c1-15-23(18-12-17(30-2)8-10-20(18)25(15)14-22(28)29)19-9-11-21(27)26(24-19)13-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,28,29)

Experimental Macro pKa Values

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