Molecule ID: mol9080
SMILES: CCCOP(=O)(O)O
InChI: InChI=1S/C3H9O4P/c1-2-3-7-8(4,5)6/h2-3H2,1H3,(H2,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.66 | QSARToolbox | 0 » -1 |
| 1.66 | QSARToolbox | 0 » -1 |
| 1.88 | IUPAC digitized pKa | 0 » -1 |
| 1.88 | AttenGpKa training set | 0 » -1 |
| 6.67 | IUPAC digitized pKa | -1 » -2 |
| 6.67 | AttenGpKa training set | -1 » -2 |