Molecule ID: mol4971
SMILES: c1ccc2nc3ccccc3cc2c1
InChI: InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.05 | QSARToolbox | 1 » 0 |
| 5.15 | OCHEM | 1 » 0 |
| 5.26 | QSARToolbox | 1 » 0 |
| 5.35 | QSARToolbox | 1 » 0 |
| 5.45 | QSARToolbox | 1 » 0 |
| 5.48 | Datawarrior | 1 » 0 |
| 5.48 | OCHEM | 1 » 0 |
| 5.58 | IUPAC digitized pKa | 1 » 0 |
| 5.60 | QSARToolbox | 1 » 0 |
| 5.60 | OCHEM | 1 » 0 |
| 5.60 | OCHEM | 1 » 0 |
| 5.62 | QSARToolbox | 1 » 0 |