Molecule ID: mol3680
SMILES: Cc1cccc(C)n1
InChI: InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.42 | IUPAC digitized pKa | 1 » 0 |
| 6.60 | QSARToolbox | 1 » 0 |
| 6.60 | QSARToolbox | 1 » 0 |
| 6.60 | IUPAC digitized pKa | 1 » 0 |
| 6.60 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 6.60 | OCHEM | 1 » 0 |
| 6.60 | OCHEM | 1 » 0 |
| 6.62 | QSARToolbox | 1 » 0 |
| 6.64 | IUPAC digitized pKa | 1 » 0 |
| 6.69 | IUPAC digitized pKa | 1 » 0 |
| 6.69 | QSARToolbox | 1 » 0 |
| 6.71 | OCHEM | 1 » 0 |
| 6.71 | OCHEM | 1 » 0 |
| 6.71 | OCHEM | 1 » 0 |
| 6.72 | QSARToolbox | 1 » 0 |
| 6.72 | QSARToolbox | 1 » 0 |
| 6.72 | IUPAC digitized pKa | 1 » 0 |
| 6.72 | AttenGpKa training set | 1 » 0 |
| 6.75 | IUPAC digitized pKa | 1 » 0 |
| 6.75 | QSARToolbox | 1 » 0 |
| 6.77 | QSARToolbox | 1 » 0 |
| 6.77 | IUPAC digitized pKa | 1 » 0 |
| 6.81 | QSARToolbox | 1 » 0 |
| 6.85 | OCHEM | 1 » 0 |
| 6.85 | Datawarrior | 1 » 0 |
| 7.28 | QSARToolbox | 1 » 0 |
| 7.36 | QSARToolbox | 1 » 0 |