Molecule ID: mol22305

SMILES: CC(=N\O)/C(=N/O)C(=O)O

InChI: InChI=1S/C4H6N2O4/c1-2(5-9)3(6-10)4(7)8/h9-10H,1H3,(H,7,8)/b5-2+,6-3-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization