Molecule ID: mol15226
SMILES: CC(C)CCOc1ccccc1/C=C\C(=O)O
InChI: InChI=1S/C14H18O3/c1-11(2)9-10-17-13-6-4-3-5-12(13)7-8-14(15)16/h3-8,11H,9-10H2,1-2H3,(H,15,16)/b8-7-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.38 | Datawarrior | 0 » -1 |
| 4.38 | QSARToolbox | 0 » -1 |