2-[(E)-2-(3-fluorophenyl)ethenyl]quinoline
Formula:C17H12NF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(3-fluorophenyl)ethenyl]quinoline is a drug-like molecule.
| MolName | 2-[(E)-2-(3-fluorophenyl)ethenyl]quinoline |
| MolecularFormula | C17H12NF |
| Smiles | Fc1cc(/C=C/c2nc3ccccc3cc2)ccc1 |
| InChI | InChI=1S/C17H12FN/c18-15-6-3-4-13(12-15)8-10-16-11-9-14-5-1-2-7-17(14)19-16/h1-12H |
| InChIK | BUQBFCOAIRWJIB-UHFFFAOYSA-N |
| TotalMolweight | 249.287 |
| Molweight | 249.287 |
| MonoisotopicMass | 249.095377 |
| CLogP | 4.3374 |
| CLogS | -4.796 |
| H Acceptors | 1 |
| TotalSurfaceArea | 199.23 |
| Relative PSA | 0.055062 |
| PolarSurfaceArea | 12.89 |
| Druglikeness | -2.7669 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(3-fluorophenyl)ethenyl]quinoline | 2 - 2-[(E)-2-(3-fluorophenyl)ethenyl]quinoline
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