Molecule ID: mol9838
SMILES: CCCOP(=O)(O)OCCC
InChI: InChI=1S/C6H15O4P/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.87 | QSARToolbox | 0 » -1 |
| 0.87 | QSARToolbox | 0 » -1 |
| 1.59 | IUPAC digitized pKa | 0 » -1 |
| 1.59 | AttenGpKa training set | 0 » -1 |