Molecule ID: mol414
SMILES: CN(C)CC/C=C1\c2ccccc2COc2ccccc21
InChI: InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | OCHEM | 1 » 0 |
| 8.00 | Hunt | 1 » 0 |
| 8.70 | OCHEM | 1 » 0 |
| 8.70 | AvLiLuMoVe | 1 » 0 |
| 8.70 | Settimo | 1 » 0 |
| 8.70 | Settimo | 1 » 0 |
| 9.00 | OCHEM | 1 » 0 |
| 9.00 | OCHEM | 1 » 0 |