Molecule ID: mol2520

SMILES: Nc1ccc([N+](=O)[O-])cn1

InChI: InChI=1S/C5H5N3O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H,(H2,6,7)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.78 IUPAC digitized pKa 1 » 0
2.78 Organic Oxygen Acids and Nitrogen Bases 1 » 0
2.78 Hunt 1 » 0
2.78 OCHEM 1 » 0
2.80 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization