Molecule ID: mol31127

SMILES: COC1=C(O)C(=O)NC1

InChI: InChI=1S/C5H7NO3/c1-9-3-2-6-5(8)4(3)7/h7H,2H2,1H3,(H,6,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization