Molecule ID: mol8948

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

InChI: InChI=1S/C2H4N2O4/c1-2(3(5)6)4(7)8/h2H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.91 IUPAC digitized pKa 0 » -1
5.06 IUPAC digitized pKa 0 » -1
5.13 IUPAC digitized pKa 0 » -1
5.13 IUPAC digitized pKa 0 » -1
5.21 IUPAC digitized pKa 0 » -1
5.21 IUPAC digitized pKa 0 » -1
5.24 AttenGpKa training set 0 » -1
5.25 IUPAC digitized pKa 0 » -1
5.28 IUPAC digitized pKa 0 » -1
5.28 Datawarrior 0 » -1
5.28 OCHEM 0 » -1
5.30 IUPAC digitized pKa 0 » -1
5.38 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization