Molecule ID: mol14443
SMILES: CN(C)Cc1cc(O)c(O)c(CN(C)C)c1
InChI: InChI=1S/C12H20N2O2/c1-13(2)7-9-5-10(8-14(3)4)12(16)11(15)6-9/h5-6,15-16H,7-8H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.22 | QSARToolbox | 2 » 1 |
| 7.22 | OCHEM | 2 » 1 |
| 7.22 | Datawarrior | 2 » 1 |
| 7.22 | AttenGpKa training set | 2 » 1 |