Molecule ID: mol7403
SMILES: CN(C)c1nccc(O)n1
InChI: InChI=1S/C6H9N3O/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 |
|---|---|---|
| 3.65 | IUPAC digitized pKa | 1 » 0 |
| 3.68 | AttenGpKa training set | 1 » 0 |
| 9.89 | AttenGpKa training set | 0 » -1 |
| 9.91 | IUPAC digitized pKa | 0 » -1 |