Molecule ID: mol33841
SMILES: O=C(O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
InChI: InChI=1S/C18H30N4O12/c23-13(24)7-19(3-5-21(9-15(27)28)10-16(29)30)1-2-20(8-14(25)26)4-6-22(11-17(31)32)12-18(33)34/h1-12H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.64 | QSARToolbox | -1 » -2 |
| 4.08 | QSARToolbox | -1 » -2 |
| 4.08 | QSARToolbox | -1 » -2 |
| 6.26 | QSARToolbox | -3 » -4 |
| 9.67 | QSARToolbox | -4 » -5 |
| 10.82 | QSARToolbox | -4 » -5 |