Molecule ID: mol7071

SMILES: Nc1nc(O)c([N+](=O)[O-])c(NCC=O)n1

InChI: InChI=1S/C6H7N5O4/c7-6-9-4(8-1-2-12)3(11(14)15)5(13)10-6/h2H,1H2,(H4,7,8,9,10,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization