Molecule ID: mol4520
SMILES: CC(C)n1cnc2ccccc21
InChI: InChI=1S/C10H12N2/c1-8(2)12-7-11-9-5-3-4-6-10(9)12/h3-8H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.71 | IUPAC digitized pKa | 1 » 0 |
| 5.71 | OCHEM | 1 » 0 |
| 5.71 | OCHEM | 1 » 0 |
| 5.74 | QSARToolbox | 1 » 0 |
| 5.74 | OCHEM | 1 » 0 |
| 5.74 | Datawarrior | 1 » 0 |
| 5.74 | AttenGpKa training set | 1 » 0 |