Molecule ID: mol15222
SMILES: CCCc1c(C)[nH]n(C2CCN(C)CC2)c1=O
InChI: InChI=1S/C13H23N3O/c1-4-5-12-10(2)14-16(13(12)17)11-6-8-15(3)9-7-11/h11,14H,4-9H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.18 | OCHEM | 1 » 0 |
| 7.18 | Datawarrior | 1 » 0 |
| 9.20 | OCHEM | 0 » -1 |
| 9.20 | Datawarrior | 0 » -1 |