Molecule ID: mol11151
SMILES: CN1C(=S)NC(=O)C12CCCCC2
InChI: InChI=1S/C9H14N2OS/c1-11-8(13)10-7(12)9(11)5-3-2-4-6-9/h2-6H2,1H3,(H,10,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.25 | IUPAC digitized pKa | 0 » -1 |
| 9.25 | Datawarrior | 0 » -1 |
| 9.25 | OCHEM | 0 » -1 |
| 9.25 | QSARToolbox | 0 » -1 |
| 9.25 | AttenGpKa training set | 0 » -1 |