Molecule ID: mol15364
SMILES: CC(C)C(O)C(C(=O)O)c1ccc(-c2ccccc2)cc1
InChI: InChI=1S/C18H20O3/c1-12(2)17(19)16(18(20)21)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16-17,19H,1-2H3,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.13 | Datawarrior | 0 » -1 |
| 4.13 | OCHEM | 0 » -1 |
| 4.13 | QSARToolbox | 0 » -1 |