Molecule ID: mol13413
SMILES: Cc1ccc(Nc2ccccc2)cc1
InChI: InChI=1S/C13H13N/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10,14H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.12 | QSARToolbox | 1 » 0 |
| 1.16 | Datawarrior | 1 » 0 |
| 1.16 | OCHEM | 1 » 0 |
| 1.20 | AttenGpKa training set | 1 » 0 |