Molecule ID: mol25314

SMILES: Cc1n[nH]c([N+](=O)[O-])n1

InChI: InChI=1S/C3H4N4O2/c1-2-4-3(6-5-2)7(8)9/h1H3,(H,4,5,6)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.89 AttenGpKa training set 1 » 0
6.67 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization