Molecule ID: mol5151
SMILES: Nc1ccc2cc3ccc4ccccc4c3nc2c1
InChI: InChI=1S/C17H12N2/c18-14-8-7-12-9-13-6-5-11-3-1-2-4-15(11)17(13)19-16(12)10-14/h1-10H,18H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.68 | QSARToolbox | 1 » 0 |
| 6.68 | IUPAC digitized pKa | 1 » 0 |
| 6.72 | QSARToolbox | 1 » 0 |
| 6.72 | OCHEM | 1 » 0 |
| 6.72 | Datawarrior | 1 » 0 |
| 6.72 | AttenGpKa training set | 1 » 0 |