Molecule ID: mol28947
SMILES: COc1ccccc1P(=O)(O)O
InChI: InChI=1S/C7H9O4P/c1-11-6-4-2-3-5-7(6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.16 | OCHEM | 0 » -1 |
| 2.16 | QSARToolbox | 0 » -1 |
| 2.16 | QSARToolbox | 0 » -1 |
| 2.16 | QSARToolbox | 0 » -1 |
| 2.19 | AttenGpKa training set | 0 » -1 |
| 7.77 | QSARToolbox | -1 » -2 |
| 7.77 | QSARToolbox | -1 » -2 |
| 7.77 | OCHEM | -1 » -2 |
| 7.99 | AttenGpKa training set | -1 » -2 |