Molecule ID: mol1952
SMILES: CC(C)N1C(=O)c2ccccc2NS1(=O)=O
InChI: InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.91 | QSARToolbox | 0 » -1 |
| 2.91 | QSARToolbox | 0 » -1 |
| 3.27 | AttenGpKa training set | 0 » -1 |
| 3.30 | OCHEM | 0 » -1 |
| 3.30 | Hunt | 0 » -1 |