Molecule ID: mol2525
SMILES: COc1ccc(-c2cnc(O)nc2)cc1
InChI: InChI=1S/C11H10N2O2/c1-15-10-4-2-8(3-5-10)9-6-12-11(14)13-7-9/h2-7H,1H3,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.91 | QSARToolbox | 1 » 0 |
| 8.56 | OCHEM | 0 » -1 |
| 8.56 | OCHEM | 0 » -1 |
| 8.86 | QSARToolbox | 0 » -1 |
| 8.86 | IUPAC digitized pKa | 0 » -1 |
| 8.86 | Hunt | 0 » -1 |