Molecule ID: mol25427

SMILES: COC(=O)c1nc([N+](=O)[O-])n[nH]1

InChI: InChI=1S/C4H4N4O4/c1-12-3(9)2-5-4(7-6-2)8(10)11/h1H3,(H,5,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization