Molecule ID: mol15021
SMILES: O=C(O)C(c1ccc(-c2ccccc2)cc1)C1(O)CCCC1
InChI: InChI=1S/C19H20O3/c20-18(21)17(19(22)12-4-5-13-19)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11,17,22H,4-5,12-13H2,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.65 | Datawarrior | 0 » -1 |
| 3.65 | QSARToolbox | 0 » -1 |
| 3.65 | OCHEM | 0 » -1 |