Molecule ID: mol506
SMILES: CN(C)[C@@H]1CCc2c(ccc(O)c2O)C1
InChI: InChI=1S/C12H17NO2/c1-13(2)9-4-5-10-8(7-9)3-6-11(14)12(10)15/h3,6,9,14-15H,4-5,7H2,1-2H3/t9-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.85 | Hunt | 1 » 0 |
| 8.85 | Hunt | 1 » 0 |
| 8.85 | Hunt | 1 » 0 |
| 8.85 | Hunt | 1 » 0 |
| 10.50 | Hunt | 0 » -1 |