Molecule ID: mol7404
SMILES: CN(C)c1nccc(S)n1
InChI: InChI=1S/C6H9N3S/c1-9(2)6-7-4-3-5(10)8-6/h3-4H,1-2H3,(H,7,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.17 | IUPAC digitized pKa | 1 » 0 |
| 2.20 | AttenGpKa training set | 1 » 0 |
| 8.02 | AttenGpKa training set | 0 » -1 |
| 8.04 | IUPAC digitized pKa | 0 » -1 |