Molecule ID: mol2432
SMILES: CN(C)c1ccc2ccccc2c1
InChI: InChI=1S/C12H13N/c1-13(2)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.57 | QSARToolbox | 1 » 0 |
| 4.57 | IUPAC digitized pKa | 1 » 0 |
| 4.57 | OCHEM | 1 » 0 |
| 4.57 | Hunt | 1 » 0 |
| 4.57 | OCHEM | 1 » 0 |
| 4.57 | Datawarrior | 1 » 0 |
| 4.57 | QSARToolbox | 1 » 0 |
| 4.57 | OCHEM | 1 » 0 |
| 4.74 | AttenGpKa training set | 1 » 0 |