2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline
Formula:C18H12NF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline is not a drug-like molecule.
| MolName | 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline |
| MolecularFormula | C18H12NF3 |
| Smiles | FC(c1ccc(/C=C/c2nc3ccccc3cc2)cc1)(F)F |
| InChI | InChI=1S/C18H12F3N/c19-18(20,21)15-9-5-13(6-10-15)7-11-16-12-8-14-3-1-2-4-17(14)22-16/h1-12H |
| InChIK | GHLFGQKMVISVSE-UHFFFAOYSA-N |
| TotalMolweight | 299.294 |
| Molweight | 299.294 |
| MonoisotopicMass | 299.092183 |
| CLogP | 5.0849 |
| CLogS | -5.26 |
| H Acceptors | 1 |
| TotalSurfaceArea | 222.34 |
| Relative PSA | 0.049339 |
| PolarSurfaceArea | 12.89 |
| Druglikeness | -8.6169 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline | 2 - 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline
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