Molecule ID: mol4100

SMILES: CNc1ncnc(N)c1[N+](=O)[O-]

InChI: InChI=1S/C5H7N5O2/c1-7-5-3(10(11)12)4(6)8-2-9-5/h2H,1H3,(H3,6,7,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization