Molecule ID: mol6463

SMILES: O=c1ccc([N+](=O)[O-])c[nH]1

InChI: InChI=1S/C5H4N2O3/c8-5-2-1-4(3-6-5)7(9)10/h1-3H,(H,6,8)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.15 AttenGpKa training set 1 » 0
6.85 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization