Molecule ID: mol31770
SMILES: COc1ccc2cc([C@@H](C)C(=O)O)ccc2c1
InChI: InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.08 | OCHEM | 0 » -1 |
| 4.15 | OCHEM | 0 » -1 |
| 4.15 | OCHEM | 0 » -1 |
| 4.15 | OCHEM | 0 » -1 |
| 4.15 | OCHEM | 0 » -1 |
| 4.18 | OCHEM | 0 » -1 |