Molecule ID: mol1817

SMILES: O=C(O)COc1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C8H7NO5/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.81 QSARToolbox 0 » -1
2.81 IUPAC digitized pKa 0 » -1
2.85 OCHEM 0 » -1
2.85 AttenGpKa training set 0 » -1
2.89 Datawarrior 0 » -1
2.89 Organic Oxygen Acids and Nitrogen Bases 0 » -1
2.89 OCHEM 0 » -1
2.89 OCHEM 0 » -1
2.89 OCHEM 0 » -1
2.89 OCHEM 0 » -1
2.89 OCHEM 0 » -1
2.89 OCHEM 0 » -1
2.89 OCHEM 0 » -1
2.89 QSARToolbox 0 » -1
2.89 QSARToolbox 0 » -1
2.89 QSARToolbox 0 » -1
2.89 Hunt 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization