Molecule ID: mol2276
SMILES: C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O
InChI: InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.45 | OCHEM | 0 » -1 |
| 3.45 | Hunt | 0 » -1 |
| 3.70 | Baltruschat ChEMBL | 0 » -1 |
| 10.08 | QSARToolbox | -1 » -2 |