Molecule ID: mol7406
SMILES: CN(C)c1cc(S)ncn1
InChI: InChI=1S/C6H9N3S/c1-9(2)5-3-6(10)8-4-7-5/h3-4H,1-2H3,(H,7,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.27 | AttenGpKa training set | 1 » 0 |
| 9.50 | IUPAC digitized pKa | 0 » -1 |
| 9.50 | AttenGpKa training set | 0 » -1 |