Molecule ID: mol814
SMILES: S=C(Nc1ccccc1)c1ccccc1
InChI: InChI=1S/C13H11NS/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.60 | IUPAC digitized pKa | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | Hunt | 0 » -1 |
| 10.60 | AttenGpKa training set | 0 » -1 |
| 10.60 | QSARToolbox | 0 » -1 |
| 10.86 | Datawarrior | 0 » -1 |
| 10.86 | OCHEM | 0 » -1 |