Molecule ID: mol10296
SMILES: N#CSc1ccc(O)cc1
InChI: InChI=1S/C7H5NOS/c8-5-10-7-3-1-6(9)2-4-7/h1-4,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.57 | QSARToolbox | 0 » -1 |
| 8.57 | QSARToolbox | 0 » -1 |
| 8.57 | OCHEM | 0 » -1 |
| 8.57 | IUPAC digitized pKa | 0 » -1 |
| 8.57 | Datawarrior | 0 » -1 |
| 8.57 | AttenGpKa training set | 0 » -1 |