Molecule ID: mol12834
SMILES: O=C1CC(Sc2ccccc2)N1
InChI: InChI=1S/C9H9NOS/c11-8-6-9(10-8)12-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 13.33 | QSARToolbox | 0 » -1 |
| 13.33 | Datawarrior | 0 » -1 |
| 13.33 | OCHEM | 0 » -1 |