Molecule ID: mol25065

SMILES: Nc1cccnc1[N+](=O)[O-]

InChI: InChI=1S/C5H5N3O2/c6-4-2-1-3-7-5(4)8(9)10/h1-3H,6H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-9.07 AttenGpKa training set 2 » 1
0.02 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization