Molecule ID: mol1019
SMILES: CC(C)(C)c1cc(N)cc(C(C)(C)C)c1
InChI: InChI=1S/C14H23N/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,15H2,1-6H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.97 | QSARToolbox | 1 » 0 |
| 4.97 | QSARToolbox | 1 » 0 |
| 4.97 | OCHEM | 1 » 0 |
| 4.97 | IUPAC digitized pKa | 1 » 0 |
| 4.97 | Datawarrior | 1 » 0 |
| 4.97 | OCHEM | 1 » 0 |
| 4.97 | Hunt | 1 » 0 |
| 4.97 | OCHEM | 1 » 0 |
| 4.97 | AttenGpKa training set | 1 » 0 |