Molecule ID: mol20922
SMILES: CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C
InChI: InChI=1S/C16H25NO3/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6/h9-11H,7-8H2,1-6H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.71 | AttenGpKa training set | 1 » 0 |
| 8.72 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.72 | OCHEM | 1 » 0 |
| 8.72 | OCHEM | 1 » 0 |
| 8.72 | OCHEM | 1 » 0 |
| 8.72 | Baltruschat ChEMBL | 1 » 0 |
| 8.72 | QSARToolbox | 1 » 0 |