(2Z,4E)-5-phenyl-2-[3-(trifluoromethyl)phenyl]penta-2,4-dienenitrile
Formula:C18H12NF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,4E)-5-phenyl-2-[3-(trifluoromethyl)phenyl]penta-2,4-dienenitrile is a drug-like molecule.
| MolName | (2Z,4E)-5-phenyl-2-[3-(trifluoromethyl)phenyl]penta-2,4-dienenitrile |
| MolecularFormula | C18H12NF3 |
| Smiles | N#C/C(/c1cccc(C(F)(F)F)c1)=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C18H12F3N/c19-18(20,21)17-11-5-9-15(12-17)16(13-22)10-4-8-14-6-2-1-3-7-14/h1-12H |
| InChIK | GLRIWLGDETYRJY-UHFFFAOYSA-N |
| TotalMolweight | 299.294 |
| Molweight | 299.294 |
| MonoisotopicMass | 299.092183 |
| CLogP | 4.8375 |
| CLogS | -4.719 |
| H Acceptors | 1 |
| TotalSurfaceArea | 235.4 |
| Relative PSA | 0.057604 |
| PolarSurfaceArea | 23.79 |
| Druglikeness | -11.915 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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