Molecule ID: mol15745
SMILES: O=C1CC(Sc2ccc([N+](=O)[O-])cc2)N1
InChI: InChI=1S/C9H8N2O3S/c12-8-5-9(10-8)15-7-3-1-6(2-4-7)11(13)14/h1-4,9H,5H2,(H,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.97 | Datawarrior | 0 » -1 |
| 12.97 | OCHEM | 0 » -1 |
| 12.97 | QSARToolbox | 0 » -1 |
| 13.00 | QSARToolbox | 0 » -1 |