Molecule ID: mol580
SMILES: N[C@@H]1CCc2cc(O)c(O)cc2C1
InChI: InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2/t8-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.10 | Hunt | 1 » 0 |
| 9.10 | Hunt | 1 » 0 |
| 9.10 | Hunt | 1 » 0 |
| 9.10 | Hunt | 1 » 0 |
| 10.50 | Hunt | 0 » -1 |