Molecule ID: mol3370
SMILES: CC(=Nc1ccccc1)Nc1ccccc1
InChI: InChI=1S/C14H14N2/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-11H,1H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.30 | IUPAC digitized pKa | 1 » 0 |
| 8.30 | OCHEM | 1 » 0 |
| 8.30 | OCHEM | 1 » 0 |
| 8.30 | Datawarrior | 1 » 0 |
| 8.30 | AttenGpKa training set | 1 » 0 |
| 8.30 | QSARToolbox | 1 » 0 |
| 8.30 | OCHEM | 1 » 0 |