Molecule ID: mol12780
SMILES: Nc1ncc(-c2ccccc2)s1
InChI: InChI=1S/C9H8N2S/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.32 | AttenGpKa training set | 1 » 0 |
| 4.90 | Datawarrior | 1 » 0 |
| 4.90 | QSARToolbox | 1 » 0 |
| 4.90 | OCHEM | 1 » 0 |