Molecule ID: mol26582
SMILES: c1ccc2c(c1)[nH]c1cnccc12
InChI: InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | AttenGpKa training set | 1 » 0 |
| 14.50 | AttenGpKa training set | 0 » -1 |