Molecule ID: mol29573
SMILES: c1ccc2[nH]c(-c3cscn3)nc2c1
InChI: InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.87 | AttenGpKa training set | 1 » 0 |
| 1.87 | QSARToolbox | 1 » 0 |
| 4.64 | QSARToolbox | 1 » 0 |
| 4.64 | AttenGpKa training set | 1 » 0 |