Molecule ID: mol26527

SMILES: O=[N+]([O-])c1cc(O)c2[nH]ncc2c1[N+](=O)[O-]

InChI: InChI=1S/C7H4N4O5/c12-5-1-4(10(13)14)7(11(15)16)3-2-8-9-6(3)5/h1-2,12H,(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization