Molecule ID: mol417
SMILES: CN(C)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChI: InChI=1S/C20H21N3O/c1-23(2)13-12-21-20(24)17-14-19(15-8-4-3-5-9-15)22-18-11-7-6-10-16(17)18/h3-11,14H,12-13H2,1-2H3,(H,21,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.30 | OCHEM | 1 » 0 |
| 8.30 | Settimo | 1 » 0 |