Molecule ID: mol2338
SMILES: COC(=O)c1cc(O)c(O)c(O)c1CN(C)C
InChI: InChI=1S/C11H15NO5/c1-12(2)5-7-6(11(16)17-3)4-8(13)10(15)9(7)14/h4,13-15H,5H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.80 | IUPAC digitized pKa | 1 » 0 |
| 6.80 | Datawarrior | 1 » 0 |
| 6.80 | Hunt | 1 » 0 |
| 6.80 | AttenGpKa training set | 1 » 0 |
| 6.80 | QSARToolbox | 1 » 0 |
| 6.80 | OCHEM | 1 » 0 |