Molecule ID: mol17853

SMILES: O=[N+]([O-])c1ccc(Nc2nc(NCCCN3CCOCC3)nc(NCCCN3CCOCC3)n2)cc1

InChI: InChI=1S/C23H35N9O4/c33-32(34)20-5-3-19(4-6-20)26-23-28-21(24-7-1-9-30-11-15-35-16-12-30)27-22(29-23)25-8-2-10-31-13-17-36-18-14-31/h3-6H,1-2,7-18H2,(H3,24,25,26,27,28,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.28 Baltruschat ChEMBL 4 » 3
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Charge States and Microspecies Visualization