Molecule ID: mol7032

SMILES: CNc1nc(N)n(C)c(=O)c1[N+](=O)[O-]

InChI: InChI=1S/C6H9N5O3/c1-8-4-3(11(13)14)5(12)10(2)6(7)9-4/h8H,1-2H3,(H2,7,9)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.17 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization