Molecule ID: mol12351

SMILES: CO[C@H]1C[C@@H]1C(=O)O

InChI: InChI=1S/C5H8O3/c1-8-4-2-3(4)5(6)7/h3-4H,2H2,1H3,(H,6,7)/t3-,4-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization