Molecule ID: mol14449
SMILES: CCN(CC)C(=S)NC(=O)c1ccccc1
InChI: InChI=1S/C12H16N2OS/c1-3-14(4-2)12(16)13-11(15)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,13,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.45 | OCHEM | 0 » -1 |
| 8.45 | QSARToolbox | 0 » -1 |
| 8.45 | Datawarrior | 0 » -1 |