Molecule ID: mol29758
SMILES: Nc1ccccc1OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C12H15NO7/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12,14-16H,13H2,(H,17,18)/t7-,8-,9+,10-,12?/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | AttenGpKa training set | 1 » 0 |
| 4.78 | AttenGpKa training set | 0 » -1 |