Molecule ID: mol25458

SMILES: CCc1c([N+](=O)[O-])n[nH]c1[N+](=O)[O-]

InChI: InChI=1S/C5H6N4O4/c1-2-3-4(8(10)11)6-7-5(3)9(12)13/h2H2,1H3,(H,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization