Molecule ID: mol17850

SMILES: O=[N+]([O-])c1ccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc(N3CCN(c4ccccc4)CC3)n2)cc1

InChI: InChI=1S/C29H31N9O2/c39-38(40)26-13-11-23(12-14-26)30-27-31-28(36-19-15-34(16-20-36)24-7-3-1-4-8-24)33-29(32-27)37-21-17-35(18-22-37)25-9-5-2-6-10-25/h1-14H,15-22H2,(H,30,31,32,33)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.86 Baltruschat ChEMBL 3 » 2
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Charge States and Microspecies Visualization