Molecule ID: mol93
SMILES: CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12
InChI: InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.27 | OCHEM | 1 » 0 |
| 9.27 | AvLiLuMoVe | 1 » 0 |
| 9.27 | Settimo | 1 » 0 |