Molecule ID: mol918

SMILES: O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

InChI: InChI=1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.50 QSARToolbox 0 » -1
2.60 IUPAC digitized pKa 0 » -1
2.67 QSARToolbox 0 » -1
2.67 QSARToolbox 0 » -1
2.73 IUPAC digitized pKa 0 » -1
2.75 AttenGpKa training set 0 » -1
2.75 QSARToolbox 0 » -1
2.82 QSARToolbox 0 » -1
2.82 QSARToolbox 0 » -1
2.82 QSARToolbox 0 » -1
2.82 QSARToolbox 0 » -1
2.82 QSARToolbox 0 » -1
2.82 QSARToolbox 0 » -1
2.82 Organic Oxygen Acids and Nitrogen Bases 0 » -1
2.82 OCHEM 0 » -1
2.82 OCHEM 0 » -1
2.82 Hunt 0 » -1
2.82 OCHEM 0 » -1
2.82 OCHEM 0 » -1
2.82 OCHEM 0 » -1
2.85 IUPAC digitized pKa 0 » -1
2.85 OCHEM 0 » -1
2.85 OCHEM 0 » -1
2.94 OCHEM 0 » -1
2.94 IUPAC digitized pKa 0 » -1
2.96 IUPAC digitized pKa 0 » -1
3.07 IUPAC digitized pKa 0 » -1
3.50 QSARToolbox 0 » -1
4.00 QSARToolbox 0 » -1
4.00 QSARToolbox 0 » -1
5.76 QSARToolbox 0 » -1
5.78 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization