Molecule ID: mol1012
SMILES: Cc1ccccc1NC1CCCC1
InChI: InChI=1S/C12H17N/c1-10-6-2-5-9-12(10)13-11-7-3-4-8-11/h2,5-6,9,11,13H,3-4,7-8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.07 | IUPAC digitized pKa | 1 » 0 |
| 5.07 | Datawarrior | 1 » 0 |
| 5.07 | Hunt | 1 » 0 |
| 5.07 | OCHEM | 1 » 0 |
| 5.07 | AttenGpKa training set | 1 » 0 |
| 5.07 | QSARToolbox | 1 » 0 |
| 5.07 | OCHEM | 1 » 0 |
| 5.70 | QSARToolbox | 1 » 0 |