Molecule ID: mol36073

SMILES: CN(C(=O)c1ccccc1O)c1nnn[nH]1

InChI: InChI=1S/C9H9N5O2/c1-14(9-10-12-13-11-9)8(16)6-4-2-3-5-7(6)15/h2-5,15H,1H3,(H,10,11,12,13)

Experimental Macro pKa Values

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