Molecule ID: mol17488
SMILES: Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1
InChI: InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | Baltruschat ChEMBL | 0 » -1 |
| 5.00 | OCHEM | 0 » -1 |