Molecule ID: mol17848

SMILES: CN1CCN(c2nc(Nc3ccc([N+](=O)[O-])cc3)nc(N3CCN(C)CC3)n2)CC1

InChI: InChI=1S/C19H27N9O2/c1-24-7-11-26(12-8-24)18-21-17(20-15-3-5-16(6-4-15)28(29)30)22-19(23-18)27-13-9-25(2)10-14-27/h3-6H,7-14H2,1-2H3,(H,20,21,22,23)

Experimental Macro pKa Values

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