Molecule ID: mol2182
SMILES: c1ccc(CNCc2ccccc2)cc1
InChI: InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.48 | AttenGpKa training set | 1 » 0 |
| 8.52 | IUPAC digitized pKa | 1 » 0 |
| 8.52 | OCHEM | 1 » 0 |
| 8.52 | OCHEM | 1 » 0 |
| 8.52 | Hunt | 1 » 0 |
| 8.52 | OCHEM | 1 » 0 |