Molecule ID: mol14991
SMILES: Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
InChI: InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | AttenGpKa training set | 1 » 0 |
| 4.16 | OCHEM | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |
| 4.16 | Datawarrior | 0 » -1 |
| 4.62 | OCHEM | 0 » -1 |
| 4.89 | QSARToolbox | 0 » -1 |
| 5.00 | Baltruschat ChEMBL | 0 » -1 |
| 5.00 | Baltruschat ChEMBL | 0 » -1 |
| 5.00 | QSARToolbox | 0 » -1 |
| 5.33 | AttenGpKa training set | 0 » -1 |