Molecule ID: mol3302
SMILES: CC1(C)CC(Nc2ccccc2)=CC(=Nc2ccccc2)C1
InChI: InChI=1S/C20H22N2/c1-20(2)14-18(21-16-9-5-3-6-10-16)13-19(15-20)22-17-11-7-4-8-12-17/h3-13,21H,14-15H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.89 | IUPAC digitized pKa | 1 » 0 |
| 9.89 | Datawarrior | 1 » 0 |
| 9.89 | OCHEM | 1 » 0 |
| 9.89 | QSARToolbox | 1 » 0 |
| 9.89 | QSARToolbox | 1 » 0 |