Molecule ID: mol992
SMILES: CC(C)(C)c1ccc(N)cc1
InChI: InChI=1S/C10H15N/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,11H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.78 | OCHEM | 1 » 0 |
| 3.78 | OCHEM | 1 » 0 |
| 4.95 | OCHEM | 1 » 0 |
| 4.95 | QSARToolbox | 1 » 0 |
| 4.95 | QSARToolbox | 1 » 0 |
| 4.95 | IUPAC digitized pKa | 1 » 0 |
| 4.95 | Datawarrior | 1 » 0 |
| 4.95 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.95 | OCHEM | 1 » 0 |
| 4.95 | Hunt | 1 » 0 |
| 4.95 | OCHEM | 1 » 0 |
| 4.95 | AttenGpKa training set | 1 » 0 |