Molecule ID: mol1667
SMILES: Nc1cc(Cl)cc(Cl)c1
InChI: InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.96 | IUPAC digitized pKa | 1 » 0 |
| 2.02 | IUPAC digitized pKa | 1 » 0 |
| 2.08 | IUPAC digitized pKa | 1 » 0 |
| 2.13 | IUPAC digitized pKa | 1 » 0 |
| 2.19 | IUPAC digitized pKa | 1 » 0 |
| 2.21 | AttenGpKa training set | 1 » 0 |
| 2.25 | IUPAC digitized pKa | 1 » 0 |
| 2.31 | IUPAC digitized pKa | 1 » 0 |
| 2.37 | QSARToolbox | 1 » 0 |
| 2.37 | OCHEM | 1 » 0 |
| 2.37 | OCHEM | 1 » 0 |
| 2.37 | IUPAC digitized pKa | 1 » 0 |
| 2.37 | OCHEM | 1 » 0 |
| 2.37 | Hunt | 1 » 0 |
| 2.37 | OCHEM | 1 » 0 |
| 2.38 | OCHEM | 1 » 0 |
| 2.38 | QSARToolbox | 1 » 0 |
| 2.38 | IUPAC digitized pKa | 1 » 0 |
| 2.42 | QSARToolbox | 1 » 0 |
| 2.44 | IUPAC digitized pKa | 1 » 0 |
| 2.51 | IUPAC digitized pKa | 1 » 0 |
| 2.51 | OCHEM | 1 » 0 |
| 2.51 | OCHEM | 1 » 0 |
| 2.51 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.58 | IUPAC digitized pKa | 1 » 0 |