Molecule ID: mol416
SMILES: CN(C)CCC=C1c2ccccc2C=Cc2ccccc21
InChI: InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.24 | OCHEM | 1 » 0 |
| 8.24 | Settimo | 1 » 0 |
| 8.24 | Settimo | 1 » 0 |
| 9.40 | IUPAC digitized pKa | 1 » 0 |
| 9.69 | OCHEM | 1 » 0 |
| 9.69 | Baltruschat ChEMBL | 1 » 0 |
| 9.69 | Baltruschat ChEMBL | 1 » 0 |