Molecule ID: mol13936
SMILES: CCCC1(CCC)SC(=O)NC1=O
InChI: InChI=1S/C9H15NO2S/c1-3-5-9(6-4-2)7(11)10-8(12)13-9/h3-6H2,1-2H3,(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.37 | QSARToolbox | 0 » -1 |
| 6.37 | OCHEM | 0 » -1 |
| 6.37 | Datawarrior | 0 » -1 |