Molecule ID: mol989
SMILES: CCCCc1ccccc1N
InChI: InChI=1S/C10H15N/c1-2-3-6-9-7-4-5-8-10(9)11/h4-5,7-8H,2-3,6,11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.26 | IUPAC digitized pKa | 1 » 0 |
| 4.26 | Datawarrior | 1 » 0 |
| 4.26 | OCHEM | 1 » 0 |
| 4.26 | Hunt | 1 » 0 |
| 4.26 | OCHEM | 1 » 0 |
| 4.26 | AttenGpKa training set | 1 » 0 |
| 4.26 | OCHEM | 1 » 0 |
| 4.26 | QSARToolbox | 1 » 0 |
| 4.26 | QSARToolbox | 1 » 0 |