Molecule ID: mol12870

SMILES: COC(=O)CC(=NO)C(C)=NO

InChI: InChI=1S/C6H10N2O4/c1-4(7-10)5(8-11)3-6(9)12-2/h10-11H,3H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.77 Datawarrior -1 » -2
9.77 OCHEM -1 » -2
11.55 Datawarrior -1 » -2
11.55 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization