Molecule ID: mol32187
SMILES: CC(C)(C)c1snc(O)c1CC(N)C(=O)O
InChI: InChI=1S/C10H16N2O3S/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.31 | OCHEM | 1 » 0 |
| 7.03 | OCHEM | 0 » -1 |
| 10.56 | OCHEM | -1 » -2 |