Molecule ID: mol16065

SMILES: CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CCCC(=O)O)CC4)no2)cc1C#N

InChI: InChI=1S/C26H28N4O4/c1-17(2)33-23-8-7-21(15-22(23)16-27)26-28-25(29-34-26)20-6-5-18-9-12-30(11-3-4-24(31)32)13-10-19(18)14-20/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(H,31,32)

Experimental Macro pKa Values

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