Molecule ID: mol2195
SMILES: Cc1ccc(-c2cnc(O)nc2)cc1
InChI: InChI=1S/C11H10N2O/c1-8-2-4-9(5-3-8)10-6-12-11(14)13-7-10/h2-7H,1H3,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.96 | QSARToolbox | 1 » 0 |
| 8.44 | OCHEM | 0 » -1 |
| 8.44 | OCHEM | 0 » -1 |
| 8.74 | QSARToolbox | 0 » -1 |
| 8.74 | IUPAC digitized pKa | 0 » -1 |
| 8.74 | Hunt | 0 » -1 |