Molecule ID: mol11890
SMILES: CN(C)Cc1c(O)c(O)c(O)c(CN(C)C)c1C(=O)O
InChI: InChI=1S/C13H20N2O5/c1-14(2)5-7-9(13(19)20)8(6-15(3)4)11(17)12(18)10(7)16/h16-18H,5-6H2,1-4H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.95 | OCHEM | 1 » 0 |
| 6.95 | QSARToolbox | 1 » 0 |
| 6.95 | IUPAC digitized pKa | 1 » 0 |
| 6.95 | Datawarrior | 1 » 0 |
| 6.95 | AttenGpKa training set | 1 » 0 |