Molecule ID: mol10362
SMILES: O=P(O)(O)COc1ccccc1Cl
InChI: InChI=1S/C7H8ClO4P/c8-6-3-1-2-4-7(6)12-5-13(9,10)11/h1-4H,5H2,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.43 | QSARToolbox | 0 » -1 |
| 1.43 | IUPAC digitized pKa | 0 » -1 |
| 6.80 | IUPAC digitized pKa | -1 » -2 |
| 6.83 | IUPAC digitized pKa | -1 » -2 |