Molecule ID: mol14333
SMILES: CCCN(CCC)Cc1ccccc1O
InChI: InChI=1S/C13H21NO/c1-3-9-14(10-4-2)11-12-7-5-6-8-13(12)15/h5-8,15H,3-4,9-11H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.30 | Datawarrior | 1 » 0 |
| 8.30 | AttenGpKa training set | 1 » 0 |
| 8.30 | OCHEM | 1 » 0 |