Molecule ID: mol923

SMILES: Cc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]

InChI: InChI=1S/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.97 OCHEM 0 » -1
2.97 Hunt 0 » -1
2.97 OCHEM 0 » -1
2.97 AttenGpKa training set 0 » -1
2.97 QSARToolbox 0 » -1
2.97 QSARToolbox 0 » -1
2.97 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization