Molecule ID: mol37651
SMILES: C[C@@H](O)[C@@H](C(=O)O)N(CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)N=O
InChI: InChI=1S/C10H18N2O9/c1-4(14)7(10(19)20)12(11-21)2-5(15)8(17)9(18)6(16)3-13/h4,6-9,13-14,16-18H,2-3H2,1H3,(H,19,20)/t4-,6-,7+,8-,9-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.25 | QSARToolbox | 0 » -1 |