Molecule ID: mol22241

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

InChI: InChI=1S/C5H6O4/c1-3(6)2-4(7)5(8)9/h2H2,1H3,(H,8,9)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.59 QSARToolbox 0 » -1
2.59 QSARToolbox 0 » -1
2.59 OCHEM 0 » -1
2.61 QSARToolbox 0 » -1
2.61 AttenGpKa training set 0 » -1
2.90 OCHEM 0 » -1
7.85 AttenGpKa training set -1 » -2
8.49 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization