Molecule ID: mol30591
SMILES: O=P(O)(O)c1ccc(O)cc1
InChI: InChI=1S/C6H7O4P/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.99 | OCHEM | 0 » -1 |
| 1.99 | AttenGpKa training set | 0 » -1 |
| 1.99 | QSARToolbox | 0 » -1 |
| 1.99 | QSARToolbox | 0 » -1 |
| 7.25 | OCHEM | -1 » -2 |
| 7.25 | AttenGpKa training set | -1 » -2 |
| 9.90 | QSARToolbox | -2 » -3 |
| 9.90 | OCHEM | -2 » -3 |
| 9.90 | AttenGpKa training set | -2 » -3 |