Molecule ID: mol29806
SMILES: CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
InChI: InChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | AttenGpKa training set | 1 » 0 |
| 8.49 | QSARToolbox | 1 » 0 |
| 9.80 | AttenGpKa training set | 0 » -1 |