Molecule ID: mol3679
SMILES: Cc1ccc(C)nc1
InChI: InChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.95 | IUPAC digitized pKa | 1 » 0 |
| 6.13 | IUPAC digitized pKa | 1 » 0 |
| 6.33 | IUPAC digitized pKa | 1 » 0 |
| 6.40 | IUPAC digitized pKa | 1 » 0 |
| 6.40 | Datawarrior | 1 » 0 |
| 6.40 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 6.40 | OCHEM | 1 » 0 |
| 6.40 | OCHEM | 1 » 0 |
| 6.40 | AttenGpKa training set | 1 » 0 |
| 6.40 | QSARToolbox | 1 » 0 |
| 6.40 | QSARToolbox | 1 » 0 |
| 6.40 | OCHEM | 1 » 0 |
| 6.43 | OCHEM | 1 » 0 |
| 6.43 | OCHEM | 1 » 0 |
| 6.44 | OCHEM | 1 » 0 |
| 6.47 | QSARToolbox | 1 » 0 |
| 6.47 | IUPAC digitized pKa | 1 » 0 |
| 6.55 | IUPAC digitized pKa | 1 » 0 |