Molecule ID: mol25777

SMILES: C[n+]1cc([N+](=O)[O-])c(N)nc1O

InChI: InChI=1S/C5H6N4O3/c1-8-2-3(9(11)12)4(6)7-5(8)10/h2H,1H3,(H2,6,7,10)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization