Molecule ID: mol5025
SMILES: c1ccc2cc3ncccc3cc2c1
InChI: InChI=1S/C13H9N/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.92 | Datawarrior | 1 » 0 |
| 4.92 | OCHEM | 1 » 0 |
| 5.01 | IUPAC digitized pKa | 1 » 0 |
| 5.01 | OCHEM | 1 » 0 |
| 5.05 | AttenGpKa training set | 1 » 0 |
| 5.05 | QSARToolbox | 1 » 0 |
| 5.10 | QSARToolbox | 1 » 0 |