Molecule ID: mol1010
SMILES: c1ccc(NC2CCCCC2)cc1
InChI: InChI=1S/C12H17N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.60 | OCHEM | 1 » 0 |
| 5.60 | QSARToolbox | 1 » 0 |
| 5.60 | IUPAC digitized pKa | 1 » 0 |
| 5.60 | Datawarrior | 1 » 0 |
| 5.60 | OCHEM | 1 » 0 |
| 5.60 | Hunt | 1 » 0 |
| 5.60 | OCHEM | 1 » 0 |
| 5.60 | AttenGpKa training set | 1 » 0 |