Molecule ID: mol15445
SMILES: CCc1c(-c2ccccc2)nn(C2CCN(C)CC2)c1O
InChI: InChI=1S/C17H23N3O/c1-3-15-16(13-7-5-4-6-8-13)18-20(17(15)21)14-9-11-19(2)12-10-14/h4-8,14,21H,3,9-12H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.90 | Datawarrior | 1 » 0 |
| 5.90 | OCHEM | 1 » 0 |
| 9.15 | OCHEM | 0 » -1 |
| 9.15 | Datawarrior | 0 » -1 |