Molecule ID: mol2151
SMILES: Nc1ccc2ccccc2n1
InChI: InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.04 | IUPAC digitized pKa | 1 » 0 |
| 7.17 | OCHEM | 1 » 0 |
| 7.30 | IUPAC digitized pKa | 1 » 0 |
| 7.30 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 7.30 | OCHEM | 1 » 0 |
| 7.30 | Hunt | 1 » 0 |
| 7.30 | QSARToolbox | 1 » 0 |
| 7.40 | QSARToolbox | 1 » 0 |
| 7.50 | Novartis | 1 » 0 |
| 7.78 | IUPAC digitized pKa | 1 » 0 |