Molecule ID: mol3682
SMILES: Cc1cncc(C)c1
InChI: InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.70 | IUPAC digitized pKa | 1 » 0 |
| 5.82 | IUPAC digitized pKa | 1 » 0 |
| 5.99 | IUPAC digitized pKa | 1 » 0 |
| 6.02 | IUPAC digitized pKa | 1 » 0 |
| 6.09 | OCHEM | 1 » 0 |
| 6.09 | OCHEM | 1 » 0 |
| 6.13 | QSARToolbox | 1 » 0 |
| 6.14 | QSARToolbox | 1 » 0 |
| 6.14 | QSARToolbox | 1 » 0 |
| 6.14 | QSARToolbox | 1 » 0 |
| 6.14 | IUPAC digitized pKa | 1 » 0 |
| 6.14 | IUPAC digitized pKa | 1 » 0 |
| 6.15 | IUPAC digitized pKa | 1 » 0 |
| 6.15 | Datawarrior | 1 » 0 |
| 6.15 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 6.15 | OCHEM | 1 » 0 |
| 6.15 | OCHEM | 1 » 0 |
| 6.15 | OCHEM | 1 » 0 |
| 6.15 | AttenGpKa training set | 1 » 0 |
| 6.15 | QSARToolbox | 1 » 0 |
| 6.15 | QSARToolbox | 1 » 0 |
| 6.15 | OCHEM | 1 » 0 |
| 6.19 | IUPAC digitized pKa | 1 » 0 |
| 6.23 | QSARToolbox | 1 » 0 |
| 6.25 | IUPAC digitized pKa | 1 » 0 |
| 6.42 | IUPAC digitized pKa | 1 » 0 |