Molecule ID: mol6642
SMILES: c1ccc(Cn2ccnc2)cc1
InChI: InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.09 | AttenGpKa training set | 1 » 0 |
| 6.65 | QSARToolbox | 1 » 0 |
| 6.66 | OCHEM | 1 » 0 |
| 6.66 | IUPAC digitized pKa | 1 » 0 |
| 6.66 | Datawarrior | 1 » 0 |
| 6.68 | QSARToolbox | 1 » 0 |
| 6.70 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 6.70 | OCHEM | 1 » 0 |
| 6.70 | OCHEM | 1 » 0 |