Molecule ID: mol14460
SMILES: COCCN=C(c1ccccc1)C(C)(C)O
InChI: InChI=1S/C13H19NO2/c1-13(2,15)12(14-9-10-16-3)11-7-5-4-6-8-11/h4-8,15H,9-10H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.75 | Datawarrior | 1 » 0 |
| 5.75 | OCHEM | 1 » 0 |
| 5.75 | QSARToolbox | 1 » 0 |