Molecule ID: mol1244
SMILES: O=C(O)Cc1ccc(Br)cc1
InChI: InChI=1S/C8H7BrO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.18 | AttenGpKa training set | 0 » -1 |
| 4.19 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.19 | OCHEM | 0 » -1 |
| 4.19 | OCHEM | 0 » -1 |
| 4.19 | OCHEM | 0 » -1 |
| 4.19 | OCHEM | 0 » -1 |
| 4.19 | OCHEM | 0 » -1 |
| 4.19 | Hunt | 0 » -1 |
| 4.19 | OCHEM | 0 » -1 |
| 4.19 | OCHEM | 0 » -1 |
| 4.19 | OCHEM | 0 » -1 |
| 4.19 | OCHEM | 0 » -1 |
| 4.19 | OCHEM | 0 » -1 |
| 4.19 | QSARToolbox | 0 » -1 |
| 4.19 | QSARToolbox | 0 » -1 |