Molecule ID: mol1709
SMILES: CSc1ccc(N)c([N+](=O)[O-])c1
InChI: InChI=1S/C7H8N2O2S/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.28 | QSARToolbox | 1 » 0 |
| -0.28 | Datawarrior | 1 » 0 |
| -0.28 | OCHEM | 1 » 0 |
| -0.28 | Hunt | 1 » 0 |
| -0.28 | OCHEM | 1 » 0 |