Molecule ID: mol10725
SMILES: CCCCOP(=O)(O)OCCCC
InChI: InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.98 | QSARToolbox | 0 » -1 |
| 1.00 | IUPAC digitized pKa | 0 » -1 |
| 1.17 | QSARToolbox | 0 » -1 |
| 1.17 | QSARToolbox | 0 » -1 |
| 1.17 | QSARToolbox | 0 » -1 |
| 1.63 | AttenGpKa training set | 0 » -1 |
| 1.72 | IUPAC digitized pKa | 0 » -1 |