Molecule ID: mol5103
SMILES: c1ccc(-c2ccc3ccc4cccnc4c3n2)cc1
InChI: InChI=1S/C18H12N2/c1-2-5-13(6-3-1)16-11-10-15-9-8-14-7-4-12-19-17(14)18(15)20-16/h1-12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.88 | IUPAC digitized pKa | 1 » 0 |
| 4.90 | Datawarrior | 1 » 0 |
| 4.90 | AttenGpKa training set | 1 » 0 |
| 4.90 | QSARToolbox | 1 » 0 |
| 4.90 | OCHEM | 1 » 0 |