Molecule ID: mol5031
SMILES: CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12
InChI: InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.11 | AttenGpKa training set | 1 » 0 |
| 8.29 | IUPAC digitized pKa | 1 » 0 |
| 8.29 | Datawarrior | 1 » 0 |
| 8.29 | OCHEM | 1 » 0 |
| 8.66 | IUPAC digitized pKa | 1 » 0 |
| 8.98 | IUPAC digitized pKa | 1 » 0 |