Molecule ID: mol2058
SMILES: Cc1cc(Br)cc(C)c1N
InChI: InChI=1S/C8H10BrN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.54 | QSARToolbox | 1 » 0 |
| 3.54 | QSARToolbox | 1 » 0 |
| 3.54 | IUPAC digitized pKa | 1 » 0 |
| 3.54 | Datawarrior | 1 » 0 |
| 3.54 | OCHEM | 1 » 0 |
| 3.54 | OCHEM | 1 » 0 |
| 3.54 | Hunt | 1 » 0 |
| 3.54 | OCHEM | 1 » 0 |
| 3.54 | AttenGpKa training set | 1 » 0 |