Molecule ID: mol994
SMILES: Nc1ccccc1Cl
InChI: InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.46 | IUPAC digitized pKa | 1 » 0 |
| 2.49 | QSARToolbox | 1 » 0 |
| 2.53 | IUPAC digitized pKa | 1 » 0 |
| 2.57 | IUPAC digitized pKa | 1 » 0 |
| 2.58 | IUPAC digitized pKa | 1 » 0 |
| 2.60 | QSARToolbox | 1 » 0 |
| 2.60 | QSARToolbox | 1 » 0 |
| 2.60 | IUPAC digitized pKa | 1 » 0 |
| 2.62 | IUPAC digitized pKa | 1 » 0 |
| 2.62 | QSARToolbox | 1 » 0 |
| 2.62 | QSARToolbox | 1 » 0 |
| 2.62 | AttenGpKa training set | 1 » 0 |
| 2.63 | IUPAC digitized pKa | 1 » 0 |
| 2.63 | QSARToolbox | 1 » 0 |
| 2.63 | QSARToolbox | 1 » 0 |
| 2.64 | IUPAC digitized pKa | 1 » 0 |
| 2.64 | Datawarrior | 1 » 0 |
| 2.64 | OCHEM | 1 » 0 |
| 2.64 | OCHEM | 1 » 0 |
| 2.64 | OCHEM | 1 » 0 |
| 2.64 | OCHEM | 1 » 0 |
| 2.65 | IUPAC digitized pKa | 1 » 0 |
| 2.65 | OCHEM | 1 » 0 |
| 2.65 | Hunt | 1 » 0 |
| 2.65 | QSARToolbox | 1 » 0 |
| 2.66 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.66 | QSARToolbox | 1 » 0 |
| 2.70 | IUPAC digitized pKa | 1 » 0 |
| 2.70 | QSARToolbox | 1 » 0 |
| 2.71 | IUPAC digitized pKa | 1 » 0 |
| 2.71 | QSARToolbox | 1 » 0 |
| 2.72 | QSARToolbox | 1 » 0 |