Molecule ID: mol12160
SMILES: Cc1cccc2c1[C@H](C(=O)O)[C@@]13CC(=O)[C@@](C)(CC[C@H]21)C3
InChI: InChI=1S/C18H20O3/c1-10-4-3-5-11-12-6-7-17(2)9-18(12,8-13(17)19)15(14(10)11)16(20)21/h3-5,12,15H,6-9H2,1-2H3,(H,20,21)/t12-,15-,17+,18-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.24 | IUPAC digitized pKa | 0 » -1 |