Molecule ID: mol694
SMILES: CC(=O)N[C@H](C(=O)O)C(C)(C)S
InChI: InChI=1S/C7H13NO3S/c1-4(9)8-5(6(10)11)7(2,3)12/h5,12H,1-3H3,(H,8,9)(H,10,11)/t5-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.90 | QSARToolbox | -1 » -2 |
| 9.90 | OCHEM | -1 » -2 |
| 9.90 | Hunt | -1 » -2 |
| 9.90 | Hunt | -1 » -2 |
| 9.90 | AttenGpKa training set | -1 » -2 |