Molecule ID: mol28891
SMILES: CCCCP(=O)(O)O
InChI: InChI=1S/C4H11O3P/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.59 | QSARToolbox | 0 » -1 |
| 2.59 | QSARToolbox | 0 » -1 |
| 2.59 | QSARToolbox | 0 » -1 |
| 2.59 | QSARToolbox | 0 » -1 |
| 2.59 | OCHEM | 0 » -1 |
| 2.59 | AttenGpKa training set | 0 » -1 |
| 8.19 | QSARToolbox | -1 » -2 |
| 8.19 | QSARToolbox | -1 » -2 |
| 8.19 | OCHEM | -1 » -2 |
| 8.19 | AttenGpKa training set | -1 » -2 |