Molecule ID: mol7902
SMILES: CCc1ncnc2ccccc12
InChI: InChI=1S/C10H10N2/c1-2-9-8-5-3-4-6-10(8)12-7-11-9/h3-7H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.77 | QSARToolbox | 1 » 0 |
| 2.77 | IUPAC digitized pKa | 1 » 0 |
| 2.90 | OCHEM | 1 » 0 |
| 3.02 | IUPAC digitized pKa | 1 » 0 |
| 3.07 | AttenGpKa training set | 1 » 0 |
| 3.20 | QSARToolbox | 1 » 0 |