Molecule ID: mol36531

SMILES: CNC(=O)Nc1c[n+]([O-])cc(-c2ccccc2)[n+]1[O-]

InChI: InChI=1S/C12H12N4O3/c1-13-12(17)14-11-8-15(18)7-10(16(11)19)9-5-3-2-4-6-9/h2-8H,1H3,(H2,13,14,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.04 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization