Molecule ID: mol37576

SMILES: O=[N+]([O-])c1ccc(/N=N/c2ccc(O)c(O)c2)c([N+](=O)[O-])c1

InChI: InChI=1S/C12H8N4O6/c17-11-4-1-7(5-12(11)18)13-14-9-3-2-8(15(19)20)6-10(9)16(21)22/h1-6,17-18H/b14-13+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.74 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization