Molecule ID: mol28889
SMILES: CCCP(=O)(O)O
InChI: InChI=1S/C3H9O3P/c1-2-3-7(4,5)6/h2-3H2,1H3,(H2,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.45 | AttenGpKa training set | 0 » -1 |
| 2.45 | QSARToolbox | 0 » -1 |
| 2.49 | OCHEM | 0 » -1 |
| 2.49 | QSARToolbox | 0 » -1 |
| 2.49 | QSARToolbox | 0 » -1 |
| 2.49 | QSARToolbox | 0 » -1 |
| 8.06 | AttenGpKa training set | -1 » -2 |
| 8.18 | OCHEM | -1 » -2 |
| 8.18 | QSARToolbox | -1 » -2 |