Molecule ID: mol5106
SMILES: c1ccc(-c2cc3cccnc3c3ncccc23)cc1
InChI: InChI=1S/C18H12N2/c1-2-6-13(7-3-1)16-12-14-8-4-10-19-17(14)18-15(16)9-5-11-20-18/h1-12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | IUPAC digitized pKa | 1 » 0 |
| 4.72 | QSARToolbox | 1 » 0 |
| 4.72 | OCHEM | 1 » 0 |
| 4.72 | Datawarrior | 1 » 0 |
| 4.72 | AttenGpKa training set | 1 » 0 |
| 4.78 | IUPAC digitized pKa | 1 » 0 |