Molecule ID: mol31869
SMILES: CC(C)NC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1
InChI: InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3/t12-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.29 | OCHEM | 1 » 0 |
| 8.29 | OCHEM | 1 » 0 |
| 9.72 | OCHEM | 0 » -1 |
| 9.72 | OCHEM | 0 » -1 |
| 9.72 | OCHEM | 0 » -1 |