Molecule ID: mol35109
SMILES: C[C@H]1[C@@H](NCC(=O)O)[C@@H](C)[C@@H](NCC(=O)O)[C@@H](C)[C@H]1NCC(=O)O
InChI: InChI=1S/C15H27N3O6/c1-7-13(16-4-10(19)20)8(2)15(18-6-12(23)24)9(3)14(7)17-5-11(21)22/h7-9,13-18H,4-6H2,1-3H3,(H,19,20)(H,21,22)(H,23,24)/t7-,8+,9-,13+,14-,15+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.50 | QSARToolbox | -2 » -3 |