Molecule ID: mol14624
SMILES: CC1CCC(O)(C(C(=O)O)c2ccc(-c3ccccc3)cc2)CC1
InChI: InChI=1S/C21H24O3/c1-15-11-13-21(24,14-12-15)19(20(22)23)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,15,19,24H,11-14H2,1H3,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.45 | Datawarrior | 0 » -1 |
| 3.45 | OCHEM | 0 » -1 |
| 3.45 | QSARToolbox | 0 » -1 |