Molecule ID: mol15363
SMILES: CCCC(O)C(C(=O)O)c1ccc(-c2ccccc2)cc1
InChI: InChI=1S/C18H20O3/c1-2-6-16(19)17(18(20)21)15-11-9-14(10-12-15)13-7-4-3-5-8-13/h3-5,7-12,16-17,19H,2,6H2,1H3,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.01 | Datawarrior | 0 » -1 |
| 4.01 | OCHEM | 0 » -1 |
| 4.02 | QSARToolbox | 0 » -1 |