Molecule ID: mol1018
SMILES: CCCCN(CCCC)c1ccccc1
InChI: InChI=1S/C14H23N/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.21 | AttenGpKa training set | 1 » 0 |
| 6.21 | QSARToolbox | 1 » 0 |
| 6.30 | IUPAC digitized pKa | 1 » 0 |
| 6.30 | OCHEM | 1 » 0 |
| 6.30 | Hunt | 1 » 0 |
| 6.30 | OCHEM | 1 » 0 |
| 6.30 | QSARToolbox | 1 » 0 |
| 6.41 | OCHEM | 1 » 0 |
| 6.41 | Datawarrior | 1 » 0 |
| 6.62 | QSARToolbox | 1 » 0 |