Molecule ID: mol36245

SMILES: CN(C)CCNC(=O)c1ccc(Nc2ccnc3cccc([N+](=O)[O-])c23)cc1

InChI: InChI=1S/C20H21N5O3/c1-24(2)13-12-22-20(26)14-6-8-15(9-7-14)23-17-10-11-21-16-4-3-5-18(19(16)17)25(27)28/h3-11H,12-13H2,1-2H3,(H,21,23)(H,22,26)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.08 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization