Molecule ID: mol617
SMILES: CC(C)Cc1ccc([C@H](C)C(=O)O)cc1
InChI: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.35 | OCHEM | 0 » -1 |
| 4.59 | OCHEM | 0 » -1 |
| 5.20 | OCHEM | 0 » -1 |
| 5.20 | Hunt | 0 » -1 |
| 5.20 | Baltruschat ChEMBL | 0 » -1 |