Molecule ID: mol15706
SMILES: Nc1ccc(Cc2ccc(N)cc2)cc1
InChI: InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | Datawarrior | 1 » 0 |
| 4.00 | QSARToolbox | 1 » 0 |
| 4.00 | AttenGpKa training set | 1 » 0 |
| 4.55 | OCHEM | 1 » 0 |
| 5.10 | Datawarrior | 1 » 0 |
| 5.20 | QSARToolbox | 1 » 0 |
| 5.20 | AttenGpKa training set | 1 » 0 |