Molecule ID: mol13091

SMILES: Cc1nc([N-][N+](=O)[O-])n[nH]1

InChI: InChI=1S/C3H4N5O2/c1-2-4-3(6-5-2)7-8(9)10/h1H3,(H-,4,5,6,7)/q-1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.10 AttenGpKa training set -1 » -2
11.23 AttenGpKa training set -1 » -2
11.30 Datawarrior -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization