Molecule ID: mol14150
SMILES: NC(=S)Nc1ccc(Br)cc1
InChI: InChI=1S/C7H7BrN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.35 | Datawarrior | 0 » -1 |
| 12.35 | OCHEM | 0 » -1 |
| 12.35 | AttenGpKa training set | 0 » -1 |
| 12.35 | QSARToolbox | 0 » -1 |