Molecule ID: mol9748

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

InChI: InChI=1S/C6H7N3O10/c10-4(11)1-3(5(12)13)2-6(7(14)15,8(16)17)9(18)19/h3H,1-2H2,(H,10,11)(H,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.03 IUPAC digitized pKa 0 » -1
4.42 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization