Molecule ID: mol17855

SMILES: O=[N+]([O-])c1ccc(Nc2nc(NC3CCCCCC3)nc(NC3CCCCCC3)n2)cc1

InChI: InChI=1S/C23H33N7O2/c31-30(32)20-15-13-19(14-16-20)26-23-28-21(24-17-9-5-1-2-6-10-17)27-22(29-23)25-18-11-7-3-4-8-12-18/h13-18H,1-12H2,(H3,24,25,26,27,28,29)

Experimental Macro pKa Values

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