Molecule ID: mol3746
SMILES: Cc1cccnc1
InChI: InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | QSARToolbox | 1 » 0 |
| 3.52 | QSARToolbox | 1 » 0 |
| 3.57 | QSARToolbox | 1 » 0 |
| 3.62 | QSARToolbox | 1 » 0 |
| 3.78 | QSARToolbox | 1 » 0 |
| 4.11 | QSARToolbox | 1 » 0 |
| 4.41 | QSARToolbox | 1 » 0 |
| 4.67 | QSARToolbox | 1 » 0 |
| 4.78 | QSARToolbox | 1 » 0 |
| 5.09 | QSARToolbox | 1 » 0 |
| 5.14 | QSARToolbox | 1 » 0 |
| 5.17 | QSARToolbox | 1 » 0 |
| 5.31 | QSARToolbox | 1 » 0 |
| 5.31 | QSARToolbox | 1 » 0 |
| 5.31 | IUPAC digitized pKa | 1 » 0 |
| 5.42 | IUPAC digitized pKa | 1 » 0 |
| 5.52 | QSARToolbox | 1 » 0 |
| 5.52 | QSARToolbox | 1 » 0 |
| 5.52 | QSARToolbox | 1 » 0 |
| 5.58 | IUPAC digitized pKa | 1 » 0 |
| 5.61 | IUPAC digitized pKa | 1 » 0 |
| 5.62 | IUPAC digitized pKa | 1 » 0 |
| 5.63 | IUPAC digitized pKa | 1 » 0 |
| 5.63 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.63 | OCHEM | 1 » 0 |
| 5.63 | OCHEM | 1 » 0 |
| 5.63 | QSARToolbox | 1 » 0 |
| 5.63 | QSARToolbox | 1 » 0 |
| 5.65 | OCHEM | 1 » 0 |
| 5.67 | IUPAC digitized pKa | 1 » 0 |
| 5.67 | IUPAC digitized pKa | 1 » 0 |
| 5.67 | QSARToolbox | 1 » 0 |
| 5.68 | QSARToolbox | 1 » 0 |
| 5.68 | QSARToolbox | 1 » 0 |
| 5.68 | QSARToolbox | 1 » 0 |
| 5.68 | IUPAC digitized pKa | 1 » 0 |
| 5.68 | IUPAC digitized pKa | 1 » 0 |
| 5.68 | OCHEM | 1 » 0 |
| 5.68 | OCHEM | 1 » 0 |
| 5.68 | AttenGpKa training set | 1 » 0 |
| 5.70 | IUPAC digitized pKa | 1 » 0 |
| 5.71 | QSARToolbox | 1 » 0 |
| 5.71 | QSARToolbox | 1 » 0 |
| 5.75 | IUPAC digitized pKa | 1 » 0 |
| 5.75 | IUPAC digitized pKa | 1 » 0 |
| 5.76 | IUPAC digitized pKa | 1 » 0 |
| 5.79 | QSARToolbox | 1 » 0 |
| 5.80 | IUPAC digitized pKa | 1 » 0 |
| 5.81 | OCHEM | 1 » 0 |
| 5.81 | Datawarrior | 1 » 0 |
| 5.82 | QSARToolbox | 1 » 0 |
| 5.82 | QSARToolbox | 1 » 0 |
| 5.86 | QSARToolbox | 1 » 0 |
| 5.96 | IUPAC digitized pKa | 1 » 0 |
| 6.00 | QSARToolbox | 1 » 0 |
| 6.05 | QSARToolbox | 1 » 0 |
| 6.15 | QSARToolbox | 1 » 0 |
| 6.19 | QSARToolbox | 1 » 0 |
| 6.24 | QSARToolbox | 1 » 0 |
| 8.34 | QSARToolbox | 1 » 0 |
| 8.34 | QSARToolbox | 1 » 0 |