Molecule ID: mol28059
SMILES: N/C(=N\c1ccccc1)c1ccccc1
InChI: InChI=1S/C13H12N2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.40 | QSARToolbox | 1 » 0 |
| 9.15 | AttenGpKa training set | 1 » 0 |
| 9.15 | AttenGpKa training set | 1 » 0 |