Molecule ID: mol458
SMILES: CC[C@@](C)(S)[C@H](N)C(=O)O
InChI: InChI=1S/C6H13NO2S/c1-3-6(2,10)4(7)5(8)9/h4,10H,3,7H2,1-2H3,(H,8,9)/t4-,6-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.10 | OCHEM | 0 » -1 |
| 8.10 | Hunt | 0 » -1 |
| 8.10 | Hunt | 0 » -1 |
| 8.10 | AttenGpKa training set | 0 » -1 |