Molecule ID: mol19924

SMILES: CN(C)CCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12

InChI: InChI=1S/C21H26N4O2/c1-24(2)15-8-4-3-7-14-22-21-16-10-5-6-11-17(16)23-18-12-9-13-19(20(18)21)25(26)27/h5-6,9-13H,3-4,7-8,14-15H2,1-2H3,(H,22,23)

Experimental Macro pKa Values

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