Molecule ID: mol13382
SMILES: Cc1nc(-c2ccccc2S)[nH]c1C
InChI: InChI=1S/C11H12N2S/c1-7-8(2)13-11(12-7)9-5-3-4-6-10(9)14/h3-6,14H,1-2H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | Datawarrior | 1 » 0 |
| 3.90 | OCHEM | 1 » 0 |
| 9.00 | Datawarrior | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |