Molecule ID: mol31398

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

InChI: InChI=1S/C4H10N2O3/c1-2(7)3(5)4(8)6-9/h2-3,7,9H,5H2,1H3,(H,6,8)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.73 AttenGpKa training set 1 » 0
8.89 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization