Molecule ID: mol15248
SMILES: CCN(CC)C(=S)NC(=O)c1cccc(C)c1
InChI: InChI=1S/C13H18N2OS/c1-4-15(5-2)13(17)14-12(16)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3,(H,14,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.36 | QSARToolbox | 0 » -1 |
| 8.36 | OCHEM | 0 » -1 |
| 8.36 | Datawarrior | 0 » -1 |