Molecule ID: mol10173
SMILES: NC(=S)c1ccccc1
InChI: InChI=1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.20 | Datawarrior | 1 » 0 |
| -3.20 | OCHEM | 1 » 0 |
| -3.20 | AttenGpKa training set | 1 » 0 |
| 12.80 | IUPAC digitized pKa | 0 » -1 |
| 12.80 | AttenGpKa training set | 0 » -1 |