Molecule ID: mol1315
SMILES: Cc1ccc(C2=CCCN2)cc1
InChI: InChI=1S/C11H13N/c1-9-4-6-10(7-5-9)11-3-2-8-12-11/h3-7,12H,2,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.55 | IUPAC digitized pKa | 1 » 0 |
| 7.55 | Hunt | 1 » 0 |
| 7.55 | QSARToolbox | 1 » 0 |