Molecule ID: mol37395
SMILES: O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCO)OCc1ccccc1
InChI: InChI=1S/C21H24N2O6/c24-12-11-22-20(26)18(13-19(25)28-14-16-7-3-1-4-8-16)23-21(27)29-15-17-9-5-2-6-10-17/h1-10,18,24H,11-15H2,(H,22,26)(H,23,27)/t18-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.44 | QSARToolbox | 0 » -1 |