Molecule ID: mol9023

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

InChI: InChI=1S/C3H4N4O8/c8-4(9)2(5(10)11)1-3(6(12)13)7(14)15/h2-3H,1H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization