Molecule ID: mol28425
SMILES: O=S(=O)(O)CCN1CCN(CCO)CC1
InChI: InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | QSARToolbox | 1 » 0 |
| 3.00 | QSARToolbox | 1 » 0 |
| 3.00 | AttenGpKa training set | 1 » 0 |
| 7.41 | QSARToolbox | 0 » -1 |
| 7.45 | QSARToolbox | 0 » -1 |
| 7.50 | QSARToolbox | 0 » -1 |
| 7.50 | QSARToolbox | 0 » -1 |
| 7.50 | AttenGpKa training set | 0 » -1 |
| 7.51 | QSARToolbox | 0 » -1 |
| 7.52 | QSARToolbox | 0 » -1 |
| 7.57 | QSARToolbox | 0 » -1 |