Molecule ID: mol11152
SMILES: CN1C(=O)C2(CCCCC2)NC1=S
InChI: InChI=1S/C9H14N2OS/c1-11-7(12)9(10-8(11)13)5-3-2-4-6-9/h2-6H2,1H3,(H,10,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.23 | QSARToolbox | 0 » -1 |
| 11.23 | IUPAC digitized pKa | 0 » -1 |
| 11.23 | Datawarrior | 0 » -1 |
| 11.23 | OCHEM | 0 » -1 |
| 11.23 | AttenGpKa training set | 0 » -1 |