Molecule ID: mol1014
SMILES: Nc1c(Br)cccc1Br
InChI: InChI=1S/C6H5Br2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.17 | IUPAC digitized pKa | 1 » 0 |
| 0.35 | QSARToolbox | 1 » 0 |
| 0.35 | QSARToolbox | 1 » 0 |
| 0.35 | IUPAC digitized pKa | 1 » 0 |
| 0.35 | OCHEM | 1 » 0 |
| 0.35 | Hunt | 1 » 0 |
| 0.36 | Datawarrior | 1 » 0 |
| 0.36 | OCHEM | 1 » 0 |
| 0.37 | OCHEM | 1 » 0 |
| 0.38 | QSARToolbox | 1 » 0 |
| 0.38 | QSARToolbox | 1 » 0 |
| 0.38 | IUPAC digitized pKa | 1 » 0 |
| 0.46 | AttenGpKa training set | 1 » 0 |