Molecule ID: mol37314
SMILES: O=C(N[C@@H](CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl
InChI: InChI=1S/C17H20Cl2N2O11/c18-14(19)15(26)20-8(9(22)6-1-3-7(4-2-6)21(29)30)5-31-17-12(25)10(23)11(24)13(32-17)16(27)28/h1-4,8-14,17,22-25H,5H2,(H,20,26)(H,27,28)/t8-,9-,10-,11-,12+,13-,17+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.95 | QSARToolbox | 0 » -1 |