Molecule ID: mol7092
SMILES: COc1ccc(-c2cnc(N)nc2)cc1
InChI: InChI=1S/C11H11N3O/c1-15-10-4-2-8(3-5-10)9-6-13-11(12)14-7-9/h2-7H,1H3,(H2,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.32 | QSARToolbox | 1 » 0 |
| 3.32 | IUPAC digitized pKa | 1 » 0 |
| 3.32 | OCHEM | 1 » 0 |