Molecule ID: mol37313
SMILES: N#Cc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1
InChI: InChI=1S/C13H13NO7/c14-5-6-1-3-7(4-2-6)20-13-10(17)8(15)9(16)11(21-13)12(18)19/h1-4,8-11,13,15-17H,(H,18,19)/t8-,9-,10+,11-,13+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.22 | QSARToolbox | 0 » -1 |