Molecule ID: mol28902
SMILES: CC(C)(C)CP(=O)(O)O
InChI: InChI=1S/C5H13O3P/c1-5(2,3)4-9(6,7)8/h4H2,1-3H3,(H2,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.84 | QSARToolbox | 0 » -1 |
| 2.84 | QSARToolbox | 0 » -1 |
| 2.84 | QSARToolbox | 0 » -1 |
| 2.84 | QSARToolbox | 0 » -1 |
| 2.84 | OCHEM | 0 » -1 |
| 2.84 | AttenGpKa training set | 0 » -1 |
| 8.65 | QSARToolbox | -1 » -2 |
| 8.65 | OCHEM | -1 » -2 |
| 8.65 | AttenGpKa training set | -1 » -2 |