Molecule ID: mol12603
SMILES: N#Cc1cccc(S(N)(=O)=O)c1
InChI: InChI=1S/C7H6N2O2S/c8-5-6-2-1-3-7(4-6)12(9,10)11/h1-4H,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.84 | Datawarrior | 0 » -1 |
| 8.84 | AttenGpKa training set | 0 » -1 |
| 8.84 | QSARToolbox | 0 » -1 |
| 8.84 | QSARToolbox | 0 » -1 |
| 8.84 | OCHEM | 0 » -1 |