Molecule ID: mol32329
SMILES: O=C(O)c1ccc(N=Cc2ccccc2)cc1
InChI: InChI=1S/C14H11NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.97 | OCHEM | 1 » 0 |
| 1.97 | QSARToolbox | 1 » 0 |
| 4.47 | OCHEM | 0 » -1 |