Molecule ID: mol23962

SMILES: Nc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]

InChI: InChI=1S/C7H5N3O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,8H2,(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-8.26 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization