Molecule ID: mol2394
SMILES: Cc1ccccc1NC1CCCCC1
InChI: InChI=1S/C13H19N/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h5-7,10,12,14H,2-4,8-9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.34 | IUPAC digitized pKa | 1 » 0 |
| 5.34 | Datawarrior | 1 » 0 |
| 5.34 | Hunt | 1 » 0 |
| 5.34 | OCHEM | 1 » 0 |
| 5.34 | AttenGpKa training set | 1 » 0 |
| 5.34 | QSARToolbox | 1 » 0 |
| 5.34 | QSARToolbox | 1 » 0 |
| 5.34 | OCHEM | 1 » 0 |