Molecule ID: mol7072

SMILES: Cn1c(N)nc(NCC=O)c([N+](=O)[O-])c1=O

InChI: InChI=1S/C7H9N5O4/c1-11-6(14)4(12(15)16)5(9-2-3-13)10-7(11)8/h3,9H,2H2,1H3,(H2,8,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization