Molecule ID: mol14448
SMILES: CCCNC(C)C(=O)Nc1ccccc1C
InChI: InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.32 | Datawarrior | 1 » 0 |
| 7.32 | QSARToolbox | 1 » 0 |
| 7.32 | OCHEM | 1 » 0 |
| 7.80 | Baltruschat ChEMBL | 1 » 0 |
| 7.89 | AttenGpKa training set | 1 » 0 |
| 7.90 | OCHEM | 1 » 0 |
| 7.90 | Baltruschat ChEMBL | 1 » 0 |