Molecule ID: mol9400

SMILES: CC(C#N)CC([N+](=O)[O-])[N+](=O)[O-]

InChI: InChI=1S/C5H7N3O4/c1-4(3-6)2-5(7(9)10)8(11)12/h4-5H,2H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization