Molecule ID: mol1348
SMILES: CN(C)c1cc(O)ncn1
InChI: InChI=1S/C6H9N3O/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 |
|---|---|---|
| 1.22 | IUPAC digitized pKa | 1 » 0 |
| 1.22 | AttenGpKa training set | 1 » 0 |
| 10.42 | AttenGpKa training set | 0 » -1 |
| 10.49 | IUPAC digitized pKa | 0 » -1 |
| 10.49 | Hunt | 0 » -1 |