Molecule ID: mol4454
SMILES: Cc1ccc2cccnc2c1
InChI: InChI=1S/C10H9N/c1-8-4-5-9-3-2-6-11-10(9)7-8/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.99 | QSARToolbox | 1 » 0 |
| 5.08 | IUPAC digitized pKa | 1 » 0 |
| 5.08 | AttenGpKa training set | 1 » 0 |
| 5.25 | Datawarrior | 1 » 0 |
| 5.25 | OCHEM | 1 » 0 |
| 5.29 | QSARToolbox | 1 » 0 |
| 5.29 | IUPAC digitized pKa | 1 » 0 |
| 5.32 | OCHEM | 1 » 0 |
| 5.34 | IUPAC digitized pKa | 1 » 0 |
| 5.34 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.34 | OCHEM | 1 » 0 |
| 5.34 | OCHEM | 1 » 0 |
| 5.34 | QSARToolbox | 1 » 0 |
| 5.34 | QSARToolbox | 1 » 0 |
| 5.80 | QSARToolbox | 1 » 0 |
| 8.72 | IUPAC digitized pKa | 1 » 0 |
| 8.92 | QSARToolbox | 1 » 0 |