Molecule ID: mol35941

SMILES: O=[N+]([O-])c1n[nH]c(-n2cnc([N+](=O)[O-])n2)n1

InChI: InChI=1S/C4H2N8O4/c13-11(14)2-5-1-10(9-2)3-6-4(8-7-3)12(15)16/h1H,(H,6,7,8)

Experimental Macro pKa Values

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