Molecule ID: mol9011

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

InChI: InChI=1S/C3H3N3O4/c4-2-1-3(5(7)8)6(9)10/h3H,1H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization