Molecule ID: mol15245
SMILES: CCN(CC)C(=S)NC(=O)c1ccc(F)cc1
InChI: InChI=1S/C12H15FN2OS/c1-3-15(4-2)12(17)14-11(16)9-5-7-10(13)8-6-9/h5-8H,3-4H2,1-2H3,(H,14,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.13 | Datawarrior | 0 » -1 |
| 8.13 | OCHEM | 0 » -1 |
| 8.13 | QSARToolbox | 0 » -1 |