Molecule ID: mol5986

SMILES: Nc1cccc([N+](=O)[O-])c1N

InChI: InChI=1S/C6H7N3O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,7-8H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.10 IUPAC digitized pKa 2 » 1
4.57 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization