Molecule ID: mol7557
SMILES: CC1CN=C(C(C)C)S1
InChI: InChI=1S/C7H13NS/c1-5(2)7-8-4-6(3)9-7/h5-6H,4H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.09 | IUPAC digitized pKa | 1 » 0 |
| 5.16 | IUPAC digitized pKa | 1 » 0 |
| 5.22 | IUPAC digitized pKa | 1 » 0 |