Molecule ID: mol16262
SMILES: CCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
InChI: InChI=1S/C17H30N4O9/c1-2-3-18-13(22)8-20(10-15(25)26)6-4-19(9-14(23)24)5-7-21(11-16(27)28)12-17(29)30/h2-12H2,1H3,(H,18,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | OCHEM | 2 » 1 |
| 1.80 | Baltruschat ChEMBL | 2 » 1 |