Molecule ID: mol706
SMILES: CC(C)(S)[C@@H](N)C(=O)O
InChI: InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | OCHEM | 1 » 0 |
| 1.80 | OCHEM | 1 » 0 |
| 7.83 | OCHEM | 0 » -1 |
| 7.83 | OCHEM | 0 » -1 |
| 7.83 | OCHEM | 0 » -1 |
| 7.90 | OCHEM | 0 » -1 |
| 7.90 | Hunt | 0 » -1 |
| 7.90 | Hunt | 0 » -1 |
| 7.90 | OCHEM | 0 » -1 |
| 8.53 | Baltruschat ChEMBL | 0 » -1 |
| 10.50 | OCHEM | -1 » -2 |
| 10.50 | OCHEM | -1 » -2 |