Molecule ID: mol10804
SMILES: O=C1NC(=S)NC12CCCCC2
InChI: InChI=1S/C8H12N2OS/c11-6-8(10-7(12)9-6)4-2-1-3-5-8/h1-5H2,(H2,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.79 | QSARToolbox | 0 » -1 |
| 8.79 | IUPAC digitized pKa | 0 » -1 |
| 8.79 | Datawarrior | 0 » -1 |
| 8.79 | OCHEM | 0 » -1 |
| 8.79 | AttenGpKa training set | 0 » -1 |