Molecule ID: mol37570

SMILES: O=C(Nc1nnn[nH]1)c1cc([N+](=O)[O-])ccc1O

InChI: InChI=1S/C8H6N6O4/c15-6-2-1-4(14(17)18)3-5(6)7(16)9-8-10-12-13-11-8/h1-3,15H,(H2,9,10,11,12,13,16)

Experimental Macro pKa Values

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