Molecule ID: mol29456
SMILES: NC(CSSCC(N)C(=O)O)C(=O)O
InChI: InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | QSARToolbox | 1 » 0 |
| 1.00 | QSARToolbox | 1 » 0 |
| 1.65 | QSARToolbox | 1 » 0 |
| 1.65 | AttenGpKa training set | 1 » 0 |
| 2.10 | QSARToolbox | 1 » 0 |
| 2.10 | QSARToolbox | 1 » 0 |
| 2.26 | AttenGpKa training set | 1 » 0 |
| 7.85 | AttenGpKa training set | 0 » -1 |
| 8.20 | QSARToolbox | 0 » -1 |
| 9.85 | AttenGpKa training set | 0 » -1 |