Molecule ID: mol22565

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

InChI: InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.88 QSARToolbox 0 » -1
2.91 AttenGpKa training set 0 » -1
4.33 AttenGpKa training set -1 » -2
6.16 AttenGpKa training set -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization