Molecule ID: mol1171
SMILES: NCc1ccccc1S(N)(=O)=O
InChI: InChI=1S/C7H10N2O2S/c8-5-6-3-1-2-4-7(6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.53 | OCHEM | 1 » 0 |
| 8.53 | IUPAC digitized pKa | 1 » 0 |
| 8.53 | Datawarrior | 1 » 0 |
| 8.53 | Hunt | 1 » 0 |
| 8.53 | OCHEM | 1 » 0 |
| 8.53 | AttenGpKa training set | 1 » 0 |
| 10.11 | IUPAC digitized pKa | 0 » -1 |
| 10.11 | Datawarrior | 0 » -1 |
| 10.11 | OCHEM | 0 » -1 |
| 10.11 | AttenGpKa training set | 0 » -1 |