Molecule ID: mol16267
SMILES: CCCOC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
InChI: InChI=1S/C17H29N3O10/c1-2-7-30-17(29)12-20(11-16(27)28)6-4-18(8-13(21)22)3-5-19(9-14(23)24)10-15(25)26/h2-12H2,1H3,(H,21,22)(H,23,24)(H,25,26)(H,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | OCHEM | 2 » 1 |
| 1.80 | Baltruschat ChEMBL | 2 » 1 |