Molecule ID: mol11404
SMILES: CN(C)CCc1ccccc1O
InChI: InChI=1S/C10H15NO/c1-11(2)8-7-9-5-3-4-6-10(9)12/h3-6,12H,7-8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.75 | IUPAC digitized pKa | 1 » 0 |
| 8.75 | Datawarrior | 1 » 0 |
| 8.75 | OCHEM | 1 » 0 |
| 8.75 | QSARToolbox | 1 » 0 |
| 8.75 | AttenGpKa training set | 1 » 0 |