Molecule ID: mol22345

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

InChI: InChI=1S/C6H8O5/c1-2-11-5(8)3-4(7)6(9)10/h2-3H2,1H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization