Molecule ID: mol3457
SMILES: CNC(C)Cc1ccc(OC)c(OC)c1
InChI: InChI=1S/C12H19NO2/c1-9(13-2)7-10-5-6-11(14-3)12(8-10)15-4/h5-6,8-9,13H,7H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.80 | Datawarrior | 1 » 0 |
| 9.80 | OCHEM | 1 » 0 |
| 9.81 | IUPAC digitized pKa | 1 » 0 |
| 9.81 | OCHEM | 1 » 0 |
| 9.81 | AttenGpKa training set | 1 » 0 |