Molecule ID: mol28893
SMILES: CC(C)(C)P(=O)(O)O
InChI: InChI=1S/C4H11O3P/c1-4(2,3)8(5,6)7/h1-3H3,(H2,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.79 | QSARToolbox | 0 » -1 |
| 2.79 | QSARToolbox | 0 » -1 |
| 2.79 | QSARToolbox | 0 » -1 |
| 2.79 | QSARToolbox | 0 » -1 |
| 2.79 | OCHEM | 0 » -1 |
| 2.79 | AttenGpKa training set | 0 » -1 |
| 8.36 | QSARToolbox | -1 » -2 |
| 8.88 | OCHEM | -1 » -2 |
| 8.88 | AttenGpKa training set | -1 » -2 |
| 8.88 | QSARToolbox | -1 » -2 |
| 8.88 | QSARToolbox | -1 » -2 |