Molecule ID: mol31443
SMILES: O=C(NO)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI: InChI=1S/C6H13NO7/c8-1-2(9)3(10)4(11)5(12)6(13)7-14/h2-5,8-12,14H,1H2,(H,7,13)/t2-,3-,4+,5-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.94 | QSARToolbox | 0 » -1 |
| 8.94 | AttenGpKa training set | 0 » -1 |