Molecule ID: mol7385

SMILES: Cc1ccc[n+](-c2nc(O)nc(O)c2[N+](=O)[O-])c1

InChI: InChI=1S/C10H8N4O4/c1-6-3-2-4-13(5-6)8-7(14(17)18)9(15)12-10(16)11-8/h2-5H,1H3,(H-,11,12,15,16)/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.12 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization