Molecule ID: mol5095
SMILES: c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChI: InChI=1S/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.82 | IUPAC digitized pKa | 1 » 0 |
| 4.84 | Datawarrior | 1 » 0 |
| 4.84 | AttenGpKa training set | 1 » 0 |
| 4.84 | QSARToolbox | 1 » 0 |
| 4.84 | OCHEM | 1 » 0 |