Molecule ID: mol17860

SMILES: O=[N+]([O-])c1ccc(Nc2nc(NCc3ccccc3)nc(NCc3ccccc3)n2)cc1

InChI: InChI=1S/C23H21N7O2/c31-30(32)20-13-11-19(12-14-20)26-23-28-21(24-15-17-7-3-1-4-8-17)27-22(29-23)25-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H3,24,25,26,27,28,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.88 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization