Molecule ID: mol3677
SMILES: Cc1cccnc1C
InChI: InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.12 | IUPAC digitized pKa | 1 » 0 |
| 6.26 | IUPAC digitized pKa | 1 » 0 |
| 6.50 | IUPAC digitized pKa | 1 » 0 |
| 6.57 | IUPAC digitized pKa | 1 » 0 |
| 6.57 | Datawarrior | 1 » 0 |
| 6.57 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 6.57 | OCHEM | 1 » 0 |
| 6.57 | OCHEM | 1 » 0 |
| 6.57 | QSARToolbox | 1 » 0 |
| 6.57 | QSARToolbox | 1 » 0 |
| 6.57 | OCHEM | 1 » 0 |
| 6.59 | OCHEM | 1 » 0 |
| 6.60 | QSARToolbox | 1 » 0 |
| 6.60 | IUPAC digitized pKa | 1 » 0 |
| 6.70 | IUPAC digitized pKa | 1 » 0 |