Molecule ID: mol3050
SMILES: COc1ccc(OC)c([C@H](O)[C@@H](C)N)c1
InChI: InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3/t7-,11-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.32 | OCHEM | 1 » 0 |
| 9.32 | OCHEM | 1 » 0 |
| 9.32 | OCHEM | 1 » 0 |
| 9.32 | AvLiLuMoVe | 1 » 0 |