Molecule ID: mol1614
SMILES: Cc1cc(C)nc(O)n1
InChI: InChI=1S/C6H8N2O/c1-4-3-5(2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.50 | QSARToolbox | 1 » 0 |
| 3.75 | IUPAC digitized pKa | 1 » 0 |
| 3.75 | QSARToolbox | 1 » 0 |
| 3.77 | QSARToolbox | 1 » 0 |
| 3.77 | IUPAC digitized pKa | 1 » 0 |
| 9.90 | QSARToolbox | 0 » -1 |
| 9.90 | IUPAC digitized pKa | 0 » -1 |
| 10.00 | OCHEM | 0 » -1 |
| 10.00 | OCHEM | 0 » -1 |
| 10.50 | IUPAC digitized pKa | 0 » -1 |
| 10.50 | Hunt | 0 » -1 |