Molecule ID: mol991
SMILES: CC(C)(C)c1cccc(N)c1
InChI: InChI=1S/C10H15N/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,11H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.66 | QSARToolbox | 1 » 0 |
| 4.66 | IUPAC digitized pKa | 1 » 0 |
| 4.66 | Hunt | 1 » 0 |
| 4.66 | OCHEM | 1 » 0 |
| 4.66 | AttenGpKa training set | 1 » 0 |