1-[(E)-2-(4-fluorophenyl)ethenyl]naphthalene
Formula:C18H13F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
1-[(E)-2-(4-fluorophenyl)ethenyl]naphthalene is not a drug-like molecule.
| MolName | 1-[(E)-2-(4-fluorophenyl)ethenyl]naphthalene |
| MolecularFormula | C18H13F |
| Smiles | Fc1ccc(/C=C/c2cccc3ccccc23)cc1 |
| InChI | InChI=1S/C18H13F/c19-17-12-9-14(10-13-17)8-11-16-6-3-5-15-4-1-2-7-18(15)16/h1-13H |
| InChIK | DANJUFMMKKUECI-UHFFFAOYSA-N |
| TotalMolweight | 248.299 |
| Molweight | 248.299 |
| MonoisotopicMass | 248.100128 |
| CLogP | 5.1618 |
| CLogS | -5.672 |
| TotalSurfaceArea | 200.47 |
| Druglikeness | -3.0624 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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