Molecule ID: mol3681
SMILES: Cc1ccncc1C
InChI: InChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.38 | QSARToolbox | 1 » 0 |
| 6.01 | IUPAC digitized pKa | 1 » 0 |
| 6.19 | IUPAC digitized pKa | 1 » 0 |
| 6.42 | OCHEM | 1 » 0 |
| 6.45 | QSARToolbox | 1 » 0 |
| 6.45 | QSARToolbox | 1 » 0 |
| 6.46 | IUPAC digitized pKa | 1 » 0 |
| 6.46 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 6.46 | OCHEM | 1 » 0 |
| 6.46 | OCHEM | 1 » 0 |
| 6.46 | QSARToolbox | 1 » 0 |
| 6.46 | QSARToolbox | 1 » 0 |
| 6.47 | OCHEM | 1 » 0 |
| 6.47 | OCHEM | 1 » 0 |
| 6.48 | IUPAC digitized pKa | 1 » 0 |
| 6.48 | IUPAC digitized pKa | 1 » 0 |
| 6.52 | QSARToolbox | 1 » 0 |
| 6.52 | IUPAC digitized pKa | 1 » 0 |
| 6.53 | Datawarrior | 1 » 0 |
| 6.53 | OCHEM | 1 » 0 |
| 6.57 | IUPAC digitized pKa | 1 » 0 |
| 6.62 | OCHEM | 1 » 0 |
| 6.77 | QSARToolbox | 1 » 0 |
| 6.77 | QSARToolbox | 1 » 0 |
| 6.77 | QSARToolbox | 1 » 0 |
| 6.77 | QSARToolbox | 1 » 0 |
| 6.77 | QSARToolbox | 1 » 0 |