Molecule ID: mol9742
SMILES: O=P(O)(O)Oc1ccccc1
InChI: InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | IUPAC digitized pKa | 0 » -1 |
| 1.00 | QSARToolbox | 0 » -1 |
| 1.00 | QSARToolbox | 0 » -1 |
| 1.23 | AttenGpKa training set | 0 » -1 |
| 1.46 | IUPAC digitized pKa | 0 » -1 |
| 5.88 | IUPAC digitized pKa | -1 » -2 |
| 5.88 | QSARToolbox | -1 » -2 |
| 5.97 | AttenGpKa training set | -1 » -2 |
| 6.20 | OCHEM | -1 » -2 |
| 6.28 | IUPAC digitized pKa | -1 » -2 |
| 6.29 | IUPAC digitized pKa | -1 » -2 |