Molecule ID: mol22239

SMILES: O=C1CC(C(=O)O)CO1

InChI: InChI=1S/C5H6O4/c6-4-1-3(2-9-4)5(7)8/h3H,1-2H2,(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization