Molecule ID: mol14152
SMILES: CSC(=N)Nc1ccccc1
InChI: InChI=1S/C8H10N2S/c1-11-8(9)10-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.14 | QSARToolbox | 1 » 0 |
| 7.14 | OCHEM | 1 » 0 |
| 7.14 | Datawarrior | 1 » 0 |
| 7.14 | AttenGpKa training set | 1 » 0 |