Molecule ID: mol15249
SMILES: CCN(CC)C(=S)NC(=O)c1ccc(C)cc1
InChI: InChI=1S/C13H18N2OS/c1-4-15(5-2)13(17)14-12(16)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3,(H,14,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.77 | Datawarrior | 0 » -1 |
| 8.77 | QSARToolbox | 0 » -1 |
| 8.77 | OCHEM | 0 » -1 |