Molecule ID: mol977
SMILES: Nc1ccccc1Br
InChI: InChI=1S/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | IUPAC digitized pKa | 1 » 0 |
| 2.15 | IUPAC digitized pKa | 1 » 0 |
| 2.21 | IUPAC digitized pKa | 1 » 0 |
| 2.27 | IUPAC digitized pKa | 1 » 0 |
| 2.28 | IUPAC digitized pKa | 1 » 0 |
| 2.33 | IUPAC digitized pKa | 1 » 0 |
| 2.35 | IUPAC digitized pKa | 1 » 0 |
| 2.39 | IUPAC digitized pKa | 1 » 0 |
| 2.40 | Datawarrior | 1 » 0 |
| 2.40 | OCHEM | 1 » 0 |
| 2.42 | IUPAC digitized pKa | 1 » 0 |
| 2.45 | IUPAC digitized pKa | 1 » 0 |
| 2.45 | IUPAC digitized pKa | 1 » 0 |
| 2.47 | IUPAC digitized pKa | 1 » 0 |
| 2.53 | IUPAC digitized pKa | 1 » 0 |
| 2.53 | IUPAC digitized pKa | 1 » 0 |
| 2.53 | IUPAC digitized pKa | 1 » 0 |
| 2.53 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.53 | OCHEM | 1 » 0 |
| 2.53 | OCHEM | 1 » 0 |
| 2.53 | OCHEM | 1 » 0 |
| 2.53 | OCHEM | 1 » 0 |
| 2.53 | OCHEM | 1 » 0 |
| 2.53 | Hunt | 1 » 0 |
| 2.53 | OCHEM | 1 » 0 |
| 2.53 | OCHEM | 1 » 0 |
| 2.55 | IUPAC digitized pKa | 1 » 0 |
| 2.55 | OCHEM | 1 » 0 |
| 2.57 | AttenGpKa training set | 1 » 0 |
| 2.57 | IUPAC digitized pKa | 1 » 0 |
| 2.60 | IUPAC digitized pKa | 1 » 0 |
| 2.68 | IUPAC digitized pKa | 1 » 0 |
| 2.76 | IUPAC digitized pKa | 1 » 0 |