Molecule ID: mol13395
SMILES: O=[N+]([O-])c1ccc(C2NCCS2)cc1
InChI: InChI=1S/C9H10N2O2S/c12-11(13)8-3-1-7(2-4-8)9-10-5-6-14-9/h1-4,9-10H,5-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.55 | Datawarrior | 1 » 0 |
| 4.55 | QSARToolbox | 1 » 0 |
| 4.55 | QSARToolbox | 1 » 0 |
| 4.55 | OCHEM | 1 » 0 |