Molecule ID: mol13394
SMILES: O=[N+]([O-])c1cccc(C2NCCS2)c1
InChI: InChI=1S/C9H10N2O2S/c12-11(13)8-3-1-2-7(6-8)9-10-4-5-14-9/h1-3,6,9-10H,4-5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.63 | Datawarrior | 1 » 0 |
| 4.63 | OCHEM | 1 » 0 |
| 4.63 | QSARToolbox | 1 » 0 |