Molecule ID: mol5094
SMILES: c1ccc(-c2cc3c(-c4ccccc4)ccnc3c3ncccc23)cc1
InChI: InChI=1S/C24H16N2/c1-3-8-17(9-4-1)19-13-15-26-24-22(19)16-21(18-10-5-2-6-11-18)20-12-7-14-25-23(20)24/h1-16H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.67 | IUPAC digitized pKa | 1 » 0 |
| 4.69 | Datawarrior | 1 » 0 |
| 4.69 | AttenGpKa training set | 1 » 0 |
| 4.69 | QSARToolbox | 1 » 0 |
| 4.69 | OCHEM | 1 » 0 |