Molecule ID: mol28909
SMILES: O=C(O)C(=O)CP(=O)(O)O
InChI: InChI=1S/C3H5O6P/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H2,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.63 | QSARToolbox | 0 » -1 |
| 3.50 | AttenGpKa training set | -1 » -2 |
| 6.38 | AttenGpKa training set | -2 » -3 |