Molecule ID: mol36988

SMILES: O=[N+]([O-])C1=CC(=NO)C=C([N+](=O)[O-])C12OCCO2

InChI: InChI=1S/C8H7N3O7/c12-9-5-3-6(10(13)14)8(17-1-2-18-8)7(4-5)11(15)16/h3-4,12H,1-2H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.42 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization