Molecule ID: mol1431
SMILES: Cc1nc(C)c2cccc(O)c2n1
InChI: InChI=1S/C10H10N2O/c1-6-8-4-3-5-9(13)10(8)12-7(2)11-6/h3-5,13H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.79 | IUPAC digitized pKa | 1 » 0 |
| 3.79 | OCHEM | 1 » 0 |
| 9.41 | IUPAC digitized pKa | 0 » -1 |
| 9.41 | Hunt | 0 » -1 |
| 9.41 | OCHEM | 0 » -1 |