Molecule ID: mol28966
SMILES: O=C(O)c1ccccc1P(=O)(O)O
InChI: InChI=1S/C7H7O5P/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.71 | OCHEM | 0 » -1 |
| 1.71 | AttenGpKa training set | 0 » -1 |
| 1.71 | QSARToolbox | 0 » -1 |
| 1.71 | QSARToolbox | 0 » -1 |
| 1.71 | QSARToolbox | 0 » -1 |
| 3.78 | OCHEM | -1 » -2 |
| 3.78 | AttenGpKa training set | -1 » -2 |
| 9.17 | OCHEM | -2 » -3 |
| 9.17 | AttenGpKa training set | -2 » -3 |