Molecule ID: mol7123
SMILES: Cc1ccc(-c2cnc(N)nc2)cc1
InChI: InChI=1S/C11H11N3/c1-8-2-4-9(5-3-8)10-6-13-11(12)14-7-10/h2-7H,1H3,(H2,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.14 | OCHEM | 1 » 0 |
| 3.34 | QSARToolbox | 1 » 0 |
| 3.34 | IUPAC digitized pKa | 1 » 0 |