Molecule ID: mol15258
SMILES: Cc1cccc(CCCCCCCC(=O)O)n1
InChI: InChI=1S/C14H21NO2/c1-12-8-7-10-13(15-12)9-5-3-2-4-6-11-14(16)17/h7-8,10H,2-6,9,11H2,1H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | OCHEM | 1 » 0 |
| 4.60 | Datawarrior | 1 » 0 |
| 7.00 | Datawarrior | 0 » -1 |
| 7.00 | OCHEM | 0 » -1 |