Molecule ID: mol1011
SMILES: CN(c1ccccc1)C1CCCC1
InChI: InChI=1S/C12H17N/c1-13(12-9-5-6-10-12)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.71 | IUPAC digitized pKa | 1 » 0 |
| 6.71 | Datawarrior | 1 » 0 |
| 6.71 | OCHEM | 1 » 0 |
| 6.71 | Hunt | 1 » 0 |
| 6.71 | OCHEM | 1 » 0 |
| 6.71 | AttenGpKa training set | 1 » 0 |
| 6.71 | QSARToolbox | 1 » 0 |