Molecule ID: mol11479
SMILES: CCCCC1(CC)C(=O)NC(=S)NC1=O
InChI: InChI=1S/C10H16N2O2S/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.37 | QSARToolbox | 0 » -1 |
| 7.37 | OCHEM | 0 » -1 |
| 7.37 | Datawarrior | 0 » -1 |
| 12.07 | Datawarrior | -1 » -2 |