Molecule ID: mol990
SMILES: CC(C)(C)c1ccccc1N
InChI: InChI=1S/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.78 | QSARToolbox | 1 » 0 |
| 3.78 | QSARToolbox | 1 » 0 |
| 3.78 | IUPAC digitized pKa | 1 » 0 |
| 3.78 | Datawarrior | 1 » 0 |
| 3.78 | OCHEM | 1 » 0 |
| 3.78 | AttenGpKa training set | 1 » 0 |
| 4.41 | OCHEM | 1 » 0 |
| 5.03 | IUPAC digitized pKa | 1 » 0 |
| 5.03 | OCHEM | 1 » 0 |
| 5.03 | Hunt | 1 » 0 |
| 5.30 | QSARToolbox | 1 » 0 |