Molecule ID: mol13236
SMILES: CCCC(C)C1C(=O)NC(=S)N=C1O
InChI: InChI=1S/C9H14N2O2S/c1-3-4-5(2)6-7(12)10-9(14)11-8(6)13/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.47 | QSARToolbox | 0 » -1 |
| 11.41 | Datawarrior | -1 » -2 |
| 11.41 | OCHEM | -1 » -2 |