Molecule ID: mol1178
SMILES: Nc1cccc2c1-c1ccccc1C2
InChI: InChI=1S/C13H11N/c14-12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-7H,8,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.39 | IUPAC digitized pKa | 1 » 0 |
| 3.39 | OCHEM | 1 » 0 |
| 3.39 | Hunt | 1 » 0 |
| 3.39 | QSARToolbox | 1 » 0 |
| 3.46 | OCHEM | 1 » 0 |
| 3.50 | AttenGpKa training set | 1 » 0 |
| 3.52 | IUPAC digitized pKa | 1 » 0 |