Molecule ID: mol575
SMILES: CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
InChI: InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.54 | QSARToolbox | 1 » 0 |
| 9.60 | OCHEM | 1 » 0 |
| 9.60 | Hunt | 1 » 0 |
| 9.60 | Jensen | 1 » 0 |