Molecule ID: mol15504
SMILES: N#CC1C=CN(Cc2cccc(F)c2)C=C1C(N)=O
InChI: InChI=1S/C14H12FN3O/c15-12-3-1-2-10(6-12)8-18-5-4-11(7-16)13(9-18)14(17)19/h1-6,9,11H,8H2,(H2,17,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.68 | Datawarrior | 1 » 0 |
| 0.68 | QSARToolbox | 1 » 0 |
| 0.68 | OCHEM | 1 » 0 |