Molecule ID: mol981
SMILES: CN(C)c1ccccc1Br
InChI: InChI=1S/C8H10BrN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | QSARToolbox | 1 » 0 |
| 4.31 | QSARToolbox | 1 » 0 |
| 4.31 | OCHEM | 1 » 0 |
| 4.31 | Hunt | 1 » 0 |
| 4.31 | AttenGpKa training set | 1 » 0 |