Molecule ID: mol14446
SMILES: CCCNCC(=O)Nc1c(C)cccc1C
InChI: InChI=1S/C13H20N2O/c1-4-8-14-9-12(16)15-13-10(2)6-5-7-11(13)3/h5-7,14H,4,8-9H2,1-3H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.01 | Datawarrior | 1 » 0 |
| 8.01 | OCHEM | 1 » 0 |