Molecule ID: mol23904
SMILES: Nc1ccc2nc(-c3ccccc3)[nH]c2c1
InChI: InChI=1S/C13H11N3/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,14H2,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | AttenGpKa training set | 2 » 1 |
| 5.84 | AttenGpKa training set | 1 » 0 |