Molecule ID: mol28914
SMILES: Cc1ccc(P(=O)(O)O)cc1
InChI: InChI=1S/C7H9O3P/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.81 | OCHEM | 0 » -1 |
| 1.84 | QSARToolbox | 0 » -1 |
| 1.84 | QSARToolbox | 0 » -1 |
| 1.94 | AttenGpKa training set | 0 » -1 |
| 1.98 | QSARToolbox | 0 » -1 |
| 1.98 | QSARToolbox | 0 » -1 |
| 7.24 | QSARToolbox | -1 » -2 |
| 7.33 | QSARToolbox | -1 » -2 |
| 7.33 | OCHEM | -1 » -2 |
| 7.42 | AttenGpKa training set | -1 » -2 |