Molecule ID: mol2391
SMILES: Cc1cc(Br)cc(C)c1N(C)C
InChI: InChI=1S/C10H14BrN/c1-7-5-9(11)6-8(2)10(7)12(3)4/h5-6H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.36 | IUPAC digitized pKa | 1 » 0 |
| 4.36 | Datawarrior | 1 » 0 |
| 4.36 | Hunt | 1 » 0 |
| 4.36 | OCHEM | 1 » 0 |
| 4.36 | AttenGpKa training set | 1 » 0 |
| 4.36 | OCHEM | 1 » 0 |
| 4.36 | QSARToolbox | 1 » 0 |
| 4.36 | QSARToolbox | 1 » 0 |