Molecule ID: mol29617
SMILES: CC(C)(CO)NCC(O)CS(=O)(=O)O
InChI: InChI=1S/C7H17NO5S/c1-7(2,5-9)8-3-6(10)4-14(11,12)13/h6,8-10H,3-5H2,1-2H3,(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | QSARToolbox | 0 » -1 |
| 9.11 | QSARToolbox | 0 » -1 |
| 9.11 | AttenGpKa training set | 0 » -1 |