Molecule ID: mol14869
SMILES: O=C(O)CNC(=O)CNS(=O)(=O)c1ccccc1
InChI: InChI=1S/C10H12N2O5S/c13-9(11-7-10(14)15)6-12-18(16,17)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,11,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.36 | QSARToolbox | 0 » -1 |
| 3.44 | QSARToolbox | 0 » -1 |
| 3.55 | Datawarrior | 0 » -1 |
| 3.55 | OCHEM | 0 » -1 |
| 9.65 | Datawarrior | -1 » -2 |