Molecule ID: mol13885
SMILES: CC(=S)Nc1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C8H8N2O2S/c1-6(13)9-7-2-4-8(5-3-7)10(11)12/h2-5H,1H3,(H,9,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.89 | Datawarrior | 0 » -1 |
| 9.89 | OCHEM | 0 » -1 |
| 9.89 | QSARToolbox | 0 » -1 |