Molecule ID: mol36257
SMILES: CN(C)c1cc(CN(CC(=O)O)CC(=O)O)nc(CN(CC(=O)O)CC(=O)O)c1
InChI: InChI=1S/C17H24N4O8/c1-19(2)13-3-11(5-20(7-14(22)23)8-15(24)25)18-12(4-13)6-21(9-16(26)27)10-17(28)29/h3-4H,5-10H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | QSARToolbox | -1 » -2 |