Molecule ID: mol25340

SMILES: CCc1c[nH]nc1[N+](=O)[O-]

InChI: InChI=1S/C5H7N3O2/c1-2-4-3-6-7-5(4)8(9)10/h3H,2H2,1H3,(H,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization