Molecule ID: mol28972
SMILES: CCOc1ccc(P(=O)(O)O)cc1
InChI: InChI=1S/C8H11O4P/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.03 | AttenGpKa training set | 0 » -1 |
| 2.06 | QSARToolbox | 0 » -1 |
| 2.06 | QSARToolbox | 0 » -1 |
| 2.06 | OCHEM | 0 » -1 |
| 7.28 | OCHEM | -1 » -2 |
| 7.28 | QSARToolbox | -1 » -2 |
| 7.47 | AttenGpKa training set | -1 » -2 |