Molecule ID: mol22574

SMILES: COC(C(=O)O)C(OC)C(=O)O

InChI: InChI=1S/C6H10O6/c1-11-3(5(7)8)4(12-2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.76 AttenGpKa training set 0 » -1
4.70 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization