Molecule ID: mol36142
SMILES: O=C(O)CN(CC(=O)O)c1ccccc1OCCCOc1ccccc1N(CC(=O)O)CC(=O)O
InChI: InChI=1S/C23H26N2O10/c26-20(27)12-24(13-21(28)29)16-6-1-3-8-18(16)34-10-5-11-35-19-9-4-2-7-17(19)25(14-22(30)31)15-23(32)33/h1-4,6-9H,5,10-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.82 | QSARToolbox | 0 » -1 |