Molecule ID: mol28921
SMILES: O=P(O)(O)c1cccc(O)c1
InChI: InChI=1S/C6H7O4P/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4,7H,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.78 | QSARToolbox | 0 » -1 |
| 1.78 | QSARToolbox | 0 » -1 |
| 1.78 | OCHEM | 0 » -1 |
| 1.78 | AttenGpKa training set | 0 » -1 |
| 7.03 | OCHEM | -1 » -2 |
| 7.03 | AttenGpKa training set | -1 » -2 |
| 10.20 | QSARToolbox | -2 » -3 |
| 10.20 | OCHEM | -2 » -3 |
| 10.20 | AttenGpKa training set | -2 » -3 |