Molecule ID: mol36136
SMILES: O=C(O)CN(CC(=O)O)Cc1ccccc1C#Cc1ccccc1CN(CC(=O)O)CC(=O)O
InChI: InChI=1S/C24H24N2O8/c27-21(28)13-25(14-22(29)30)11-19-7-3-1-5-17(19)9-10-18-6-2-4-8-20(18)12-26(15-23(31)32)16-24(33)34/h1-8H,11-16H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.90 | QSARToolbox | 0 » -1 |