Molecule ID: mol21821
SMILES: COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC
InChI: InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.27 | AttenGpKa training set | 1 » 0 |
| 8.78 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |