Molecule ID: mol3745
SMILES: Cc1ccccn1
InChI: InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.78 | QSARToolbox | 1 » 0 |
| 3.84 | QSARToolbox | 1 » 0 |
| 3.85 | QSARToolbox | 1 » 0 |
| 3.88 | QSARToolbox | 1 » 0 |
| 4.07 | QSARToolbox | 1 » 0 |
| 4.41 | QSARToolbox | 1 » 0 |
| 4.71 | QSARToolbox | 1 » 0 |
| 5.07 | QSARToolbox | 1 » 0 |
| 5.33 | QSARToolbox | 1 » 0 |
| 5.57 | IUPAC digitized pKa | 1 » 0 |
| 5.57 | QSARToolbox | 1 » 0 |
| 5.69 | IUPAC digitized pKa | 1 » 0 |
| 5.75 | QSARToolbox | 1 » 0 |
| 5.86 | AttenGpKa training set | 1 » 0 |
| 5.87 | IUPAC digitized pKa | 1 » 0 |
| 5.92 | IUPAC digitized pKa | 1 » 0 |
| 5.92 | QSARToolbox | 1 » 0 |
| 5.92 | QSARToolbox | 1 » 0 |
| 5.92 | QSARToolbox | 1 » 0 |
| 5.94 | IUPAC digitized pKa | 1 » 0 |
| 5.94 | IUPAC digitized pKa | 1 » 0 |
| 5.94 | IUPAC digitized pKa | 1 » 0 |
| 5.94 | OCHEM | 1 » 0 |
| 5.94 | Baltruschat ChEMBL | 1 » 0 |
| 5.94 | QSARToolbox | 1 » 0 |
| 5.95 | QSARToolbox | 1 » 0 |
| 5.96 | IUPAC digitized pKa | 1 » 0 |
| 5.96 | IUPAC digitized pKa | 1 » 0 |
| 5.96 | OCHEM | 1 » 0 |
| 5.96 | OCHEM | 1 » 0 |
| 5.96 | QSARToolbox | 1 » 0 |
| 5.96 | QSARToolbox | 1 » 0 |
| 5.96 | QSARToolbox | 1 » 0 |
| 5.97 | QSARToolbox | 1 » 0 |
| 5.97 | QSARToolbox | 1 » 0 |
| 5.97 | IUPAC digitized pKa | 1 » 0 |
| 5.97 | IUPAC digitized pKa | 1 » 0 |
| 5.98 | Datawarrior | 1 » 0 |
| 5.98 | OCHEM | 1 » 0 |
| 6.00 | IUPAC digitized pKa | 1 » 0 |
| 6.00 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 6.00 | OCHEM | 1 » 0 |
| 6.00 | OCHEM | 1 » 0 |
| 6.00 | Baltruschat ChEMBL | 1 » 0 |
| 6.05 | IUPAC digitized pKa | 1 » 0 |
| 6.06 | IUPAC digitized pKa | 1 » 0 |
| 6.08 | QSARToolbox | 1 » 0 |
| 6.20 | QSARToolbox | 1 » 0 |
| 7.98 | QSARToolbox | 1 » 0 |
| 8.03 | QSARToolbox | 1 » 0 |
| 8.06 | QSARToolbox | 1 » 0 |
| 8.08 | QSARToolbox | 1 » 0 |