Molecule ID: mol23906
SMILES: Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChI: InChI=1S/C13H11N3/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,14H2,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.38 | AttenGpKa training set | 2 » 1 |
| 5.50 | AttenGpKa training set | 1 » 0 |
| 13.00 | AttenGpKa training set | 0 » -1 |