Molecule ID: mol9251
SMILES: CCCCOP(=O)(O)O
InChI: InChI=1S/C4H11O4P/c1-2-3-4-8-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.62 | QSARToolbox | 0 » -1 |
| 1.62 | QSARToolbox | 0 » -1 |
| 1.80 | AttenGpKa training set | 0 » -1 |
| 1.89 | IUPAC digitized pKa | 0 » -1 |
| 6.84 | IUPAC digitized pKa | -1 » -2 |
| 6.84 | AttenGpKa training set | -1 » -2 |