Molecule ID: mol14772
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O
InChI: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.95 | QSARToolbox | 0 » -1 |
| 4.95 | Datawarrior | 0 » -1 |