Molecule ID: mol14956
SMILES: CCCN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1
InChI: InChI=1S/C16H17NO/c1-2-11-17-12-9-15(10-13-17)4-3-14-5-7-16(18)8-6-14/h3-10,12-13H,2,11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | Datawarrior | 1 » 0 |
| 8.50 | OCHEM | 1 » 0 |
| 8.50 | QSARToolbox | 1 » 0 |