Molecule ID: mol1176
SMILES: Nc1cccc2c1Cc1ccccc1-2
InChI: InChI=1S/C13H11N/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13/h1-7H,8,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.53 | AttenGpKa training set | 1 » 0 |
| 3.67 | IUPAC digitized pKa | 1 » 0 |
| 3.67 | QSARToolbox | 1 » 0 |
| 3.77 | OCHEM | 1 » 0 |
| 3.87 | QSARToolbox | 1 » 0 |
| 3.87 | IUPAC digitized pKa | 1 » 0 |
| 3.87 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.87 | OCHEM | 1 » 0 |
| 3.87 | Hunt | 1 » 0 |