Molecule ID: mol9730
SMILES: O=[PH](O)c1ccccc1
InChI: InChI=1S/C6H7O2P/c7-9(8)6-4-2-1-3-5-6/h1-5,9H,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.35 | QSARToolbox | 0 » -1 |
| 1.63 | Datawarrior | 0 » -1 |
| 1.63 | OCHEM | 0 » -1 |
| 1.70 | AttenGpKa training set | 0 » -1 |
| 1.75 | IUPAC digitized pKa | 0 » -1 |
| 1.92 | QSARToolbox | 0 » -1 |
| 2.10 | QSARToolbox | 0 » -1 |
| 2.10 | OCHEM | 0 » -1 |