Molecule ID: mol10796
SMILES: O=P(O)(O)OCCOc1ccc(Cl)cc1
InChI: InChI=1S/C8H10ClO5P/c9-7-1-3-8(4-2-7)13-5-6-14-15(10,11)12/h1-4H,5-6H2,(H2,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.03 | QSARToolbox | 0 » -1 |
| 2.03 | QSARToolbox | 0 » -1 |
| 6.50 | QSARToolbox | -1 » -2 |
| 6.58 | IUPAC digitized pKa | -1 » -2 |