Molecule ID: mol7553
SMILES: CC1CN=C(C(C)(C)C)S1
InChI: InChI=1S/C8H15NS/c1-6-5-9-7(10-6)8(2,3)4/h6H,5H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.94 | IUPAC digitized pKa | 1 » 0 |
| 5.02 | Datawarrior | 1 » 0 |
| 5.02 | OCHEM | 1 » 0 |
| 5.03 | IUPAC digitized pKa | 1 » 0 |
| 5.03 | QSARToolbox | 1 » 0 |
| 5.09 | IUPAC digitized pKa | 1 » 0 |