Molecule ID: mol980
SMILES: CC(C)(C)Nc1ccc(Br)cc1
InChI: InChI=1S/C10H14BrN/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7,12H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.93 | QSARToolbox | 1 » 0 |
| 5.93 | Hunt | 1 » 0 |
| 6.08 | AttenGpKa training set | 1 » 0 |