Molecule ID: mol28894
SMILES: CCC(C)P(=O)(O)O
InChI: InChI=1S/C4H11O3P/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.74 | OCHEM | 0 » -1 |
| 2.74 | AttenGpKa training set | 0 » -1 |
| 2.74 | QSARToolbox | 0 » -1 |
| 2.74 | QSARToolbox | 0 » -1 |
| 2.74 | QSARToolbox | 0 » -1 |
| 2.74 | QSARToolbox | 0 » -1 |
| 8.48 | QSARToolbox | -1 » -2 |
| 8.48 | QSARToolbox | -1 » -2 |
| 8.48 | OCHEM | -1 » -2 |
| 8.48 | AttenGpKa training set | -1 » -2 |