Molecule ID: mol17517
SMILES: N#Cc1ccccc1OCC(O)CNCCNC(=O)Cc1ccc(O)cc1
InChI: InChI=1S/C20H23N3O4/c21-12-16-3-1-2-4-19(16)27-14-18(25)13-22-9-10-23-20(26)11-15-5-7-17(24)8-6-15/h1-8,18,22,24-25H,9-11,13-14H2,(H,23,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.80 | Baltruschat ChEMBL | 1 » 0 |