Molecule ID: mol1623
SMILES: Cc1nc(O)nc(C)c1C
InChI: InChI=1S/C7H10N2O/c1-4-5(2)8-7(10)9-6(4)3/h1-3H3,(H,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.85 | QSARToolbox | 1 » 0 |
| 4.21 | IUPAC digitized pKa | 1 » 0 |
| 4.21 | QSARToolbox | 1 » 0 |
| 10.55 | OCHEM | 0 » -1 |
| 10.55 | OCHEM | 0 » -1 |
| 10.85 | IUPAC digitized pKa | 0 » -1 |
| 10.85 | Hunt | 0 » -1 |