Molecule ID: mol22388

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

InChI: InChI=1S/C6H9NO5/c1-2-12-6(10)4(7-11)3-5(8)9/h11H,2-3H2,1H3,(H,8,9)/b7-4+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization