Molecule ID: mol10051

SMILES: O=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.09 IUPAC digitized pKa 0 » -1
2.27 IUPAC digitized pKa 0 » -1
2.27 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization