Molecule ID: mol7555
SMILES: CCC1=NCC(C)S1
InChI: InChI=1S/C6H11NS/c1-3-6-7-4-5(2)8-6/h5H,3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.16 | IUPAC digitized pKa | 1 » 0 |
| 5.23 | IUPAC digitized pKa | 1 » 0 |
| 5.31 | IUPAC digitized pKa | 1 » 0 |