Molecule ID: mol13869
SMILES: CC(=O)Nc1nnc(S(N)(=O)=O)s1
InChI: InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | QSARToolbox | 0 » -1 |
| 7.20 | Baltruschat ChEMBL | 0 » -1 |
| 7.39 | AttenGpKa training set | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |
| 7.40 | Baltruschat ChEMBL | 0 » -1 |
| 7.40 | Baltruschat ChEMBL | 0 » -1 |
| 7.40 | Baltruschat ChEMBL | 0 » -1 |
| 7.40 | Baltruschat ChEMBL | 0 » -1 |
| 7.48 | Datawarrior | 0 » -1 |
| 7.48 | OCHEM | 0 » -1 |
| 7.49 | QSARToolbox | 0 » -1 |
| 7.49 | QSARToolbox | 0 » -1 |
| 7.49 | QSARToolbox | 0 » -1 |
| 9.16 | AttenGpKa training set | -1 » -2 |