Molecule ID: mol29710
SMILES: O=S(=O)(O)CC(O)CN1CCN(CCO)CC1
InChI: InChI=1S/C9H20N2O5S/c12-6-5-10-1-3-11(4-2-10)7-9(13)8-17(14,15)16/h9,12-13H,1-8H2,(H,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.73 | AttenGpKa training set | 0 » -1 |
| 7.79 | QSARToolbox | 0 » -1 |
| 7.90 | QSARToolbox | 0 » -1 |