Molecule ID: mol20237

SMILES: CC(C)(N)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O

InChI: InChI=1S/C28H29N7O2/c1-28(2,29)27(37)30-23-16-15-20-7-3-6-10-24(20)35(26(23)36)17-18-11-13-19(14-12-18)21-8-4-5-9-22(21)25-31-33-34-32-25/h3-14,23H,15-17,29H2,1-2H3,(H,30,37)(H,31,32,33,34)/t23-/m1/s1

Experimental Macro pKa Values

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