Molecule ID: mol10221
SMILES: O=P(O)(O)COc1ccccc1
InChI: InChI=1S/C7H9O4P/c8-12(9,10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.37 | IUPAC digitized pKa | 0 » -1 |
| 1.37 | QSARToolbox | 0 » -1 |
| 1.38 | IUPAC digitized pKa | 0 » -1 |
| 6.75 | IUPAC digitized pKa | -1 » -2 |
| 6.82 | IUPAC digitized pKa | -1 » -2 |
| 6.84 | IUPAC digitized pKa | -1 » -2 |