Molecule ID: mol22533
SMILES: O=C(O)C(O)(O)C(=O)O
InChI: InChI=1S/C3H4O6/c4-1(5)3(8,9)2(6)7/h8-9H,(H,4,5)(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | AttenGpKa training set | 0 » -1 |
| 13.19 | QSARToolbox | -3 » -4 |
| 13.19 | AttenGpKa training set | -3 » -4 |