Molecule ID: mol18007
SMILES: NC(CS)C(=O)O
InChI: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.50 | QSARToolbox | 1 » 0 |
| 1.71 | QSARToolbox | 1 » 0 |
| 1.71 | QSARToolbox | 1 » 0 |
| 1.82 | QSARToolbox | 1 » 0 |
| 1.91 | QSARToolbox | 1 » 0 |
| 8.14 | QSARToolbox | 0 » -1 |
| 8.24 | QSARToolbox | 0 » -1 |
| 8.36 | QSARToolbox | 0 » -1 |
| 8.36 | QSARToolbox | 0 » -1 |
| 8.53 | QSARToolbox | 0 » -1 |
| 8.53 | QSARToolbox | 0 » -1 |
| 8.70 | Baltruschat ChEMBL | 0 » -1 |
| 10.28 | QSARToolbox | -1 » -2 |
| 10.28 | QSARToolbox | -1 » -2 |
| 10.53 | QSARToolbox | -1 » -2 |
| 10.53 | QSARToolbox | -1 » -2 |