Molecule ID: mol34797
SMILES: CC(NC(=O)CN(CCN(CC(=O)O)CC(=O)NC(C)c1ccccc1)CC(=O)O)c1ccccc1
InChI: InChI=1S/C26H34N4O6/c1-19(21-9-5-3-6-10-21)27-23(31)15-29(17-25(33)34)13-14-30(18-26(35)36)16-24(32)28-20(2)22-11-7-4-8-12-22/h3-12,19-20H,13-18H2,1-2H3,(H,27,31)(H,28,32)(H,33,34)(H,35,36)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.49 | QSARToolbox | 1 » 0 |