Molecule ID: mol28948
SMILES: COc1ccc(P(=O)(O)O)cc1
InChI: InChI=1S/C7H9O4P/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | QSARToolbox | 0 » -1 |
| 2.03 | AttenGpKa training set | 0 » -1 |
| 2.10 | OCHEM | 0 » -1 |
| 2.40 | QSARToolbox | 0 » -1 |
| 7.15 | OCHEM | -1 » -2 |
| 7.15 | QSARToolbox | -1 » -2 |
| 7.35 | AttenGpKa training set | -1 » -2 |