Molecule ID: mol3793
SMILES: Cc1cc(C)nc(C)c1
InChI: InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.54 | QSARToolbox | 1 » 0 |
| 7.25 | IUPAC digitized pKa | 1 » 0 |
| 7.29 | AttenGpKa training set | 1 » 0 |
| 7.35 | OCHEM | 1 » 0 |
| 7.35 | Datawarrior | 1 » 0 |
| 7.39 | QSARToolbox | 1 » 0 |
| 7.40 | QSARToolbox | 1 » 0 |
| 7.43 | QSARToolbox | 1 » 0 |
| 7.43 | IUPAC digitized pKa | 1 » 0 |
| 7.43 | IUPAC digitized pKa | 1 » 0 |
| 7.43 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 7.43 | OCHEM | 1 » 0 |
| 7.43 | OCHEM | 1 » 0 |
| 7.43 | OCHEM | 1 » 0 |
| 7.43 | OCHEM | 1 » 0 |
| 7.45 | QSARToolbox | 1 » 0 |
| 7.46 | OCHEM | 1 » 0 |
| 7.48 | IUPAC digitized pKa | 1 » 0 |
| 7.48 | QSARToolbox | 1 » 0 |
| 7.48 | QSARToolbox | 1 » 0 |
| 7.59 | IUPAC digitized pKa | 1 » 0 |
| 7.59 | QSARToolbox | 1 » 0 |
| 7.59 | QSARToolbox | 1 » 0 |
| 7.60 | QSARToolbox | 1 » 0 |