Molecule ID: mol5148
SMILES: c1ccc2nc3ccc4ccccc4c3cc2c1
InChI: InChI=1S/C17H11N/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17/h1-11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.39 | OCHEM | 1 » 0 |
| 4.39 | Datawarrior | 1 » 0 |
| 4.70 | OCHEM | 1 » 0 |
| 4.70 | AttenGpKa training set | 1 » 0 |