Molecule ID: mol9734
SMILES: O=P(O)(O)c1ccccc1
InChI: InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.60 | QSARToolbox | 0 » -1 |
| 1.76 | AttenGpKa training set | 0 » -1 |
| 1.83 | QSARToolbox | 0 » -1 |
| 1.83 | QSARToolbox | 0 » -1 |
| 2.02 | OCHEM | 0 » -1 |
| 6.85 | QSARToolbox | -1 » -2 |
| 7.02 | QSARToolbox | -1 » -2 |
| 7.07 | OCHEM | -1 » -2 |
| 7.07 | QSARToolbox | -1 » -2 |
| 7.14 | AttenGpKa training set | -1 » -2 |
| 7.43 | IUPAC digitized pKa | -1 » -2 |