Molecule ID: mol2332
SMILES: N#Cc1cc(Br)c(O)c(Br)c1
InChI: InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.86 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.86 | OCHEM | 0 » -1 |
| 3.86 | OCHEM | 0 » -1 |
| 3.86 | OCHEM | 0 » -1 |
| 3.86 | OCHEM | 0 » -1 |
| 3.95 | OCHEM | 0 » -1 |
| 3.95 | Hunt | 0 » -1 |
| 4.05 | OCHEM | 0 » -1 |
| 4.06 | QSARToolbox | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |
| 4.09 | AttenGpKa training set | 0 » -1 |