Molecule ID: mol14929
SMILES: O=[N+]([O-])c1ccc(C(=S)Nc2ccccc2)cc1
InChI: InChI=1S/C13H10N2O2S/c16-15(17)12-8-6-10(7-9-12)13(18)14-11-4-2-1-3-5-11/h1-9H,(H,14,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.81 | Datawarrior | 0 » -1 |
| 9.81 | OCHEM | 0 » -1 |
| 9.81 | QSARToolbox | 0 » -1 |