Molecule ID: mol4453
SMILES: Cc1ccc2ncccc2c1
InChI: InChI=1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.88 | QSARToolbox | 1 » 0 |
| 4.92 | IUPAC digitized pKa | 1 » 0 |
| 4.92 | AttenGpKa training set | 1 » 0 |
| 4.92 | QSARToolbox | 1 » 0 |
| 5.10 | OCHEM | 1 » 0 |
| 5.10 | Datawarrior | 1 » 0 |
| 5.15 | IUPAC digitized pKa | 1 » 0 |
| 5.15 | QSARToolbox | 1 » 0 |
| 5.19 | OCHEM | 1 » 0 |
| 5.22 | QSARToolbox | 1 » 0 |
| 5.22 | QSARToolbox | 1 » 0 |
| 5.22 | 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 |
| 9.08 | QSARToolbox | 1 » 0 |