4-[(E)-2-(2-fluorophenyl)ethenyl]quinoline
Formula:C17H12NF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
4-[(E)-2-(2-fluorophenyl)ethenyl]quinoline is a drug-like molecule.
| MolName | 4-[(E)-2-(2-fluorophenyl)ethenyl]quinoline |
| MolecularFormula | C17H12NF |
| Smiles | Fc1c(/C=C/c2ccnc3ccccc23)cccc1 |
| InChI | InChI=1S/C17H12FN/c18-16-7-3-1-5-14(16)10-9-13-11-12-19-17-8-4-2-6-15(13)17/h1-12H |
| InChIK | UCCJYAHEKMRSAB-UHFFFAOYSA-N |
| TotalMolweight | 249.287 |
| Molweight | 249.287 |
| MonoisotopicMass | 249.095377 |
| CLogP | 4.2834 |
| CLogS | -4.772 |
| H Acceptors | 1 |
| TotalSurfaceArea | 199.23 |
| Relative PSA | 0.055062 |
| PolarSurfaceArea | 12.89 |
| Druglikeness | -2.7669 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| 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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