Molecule ID: mol159
SMILES: Cc1ccccc1OCC(O)CNCCOc1ccc(C(N)=O)cc1
InChI: InChI=1S/C19H24N2O4/c1-14-4-2-3-5-18(14)25-13-16(22)12-21-10-11-24-17-8-6-15(7-9-17)19(20)23/h2-9,16,21-22H,10-13H2,1H3,(H2,20,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | OCHEM | 1 » 0 |
| 7.90 | OCHEM | 1 » 0 |
| 7.90 | Baltruschat ChEMBL | 1 » 0 |
| 7.90 | Settimo | 1 » 0 |
| 7.90 | Settimo | 1 » 0 |
| 7.94 | OCHEM | 1 » 0 |