4-[2,3,5,6-tetrafluoro-4-[(E)-3-morpholin-4-ylprop-1-enyl]phenoxy]benzonitrile
Formula:C20H16N2O2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[2,3,5,6-tetrafluoro-4-[(E)-3-morpholin-4-ylprop-1-enyl]phenoxy]benzonitrile is a drug-like molecule.
| MolName | 4-[2,3,5,6-tetrafluoro-4-[(E)-3-morpholin-4-ylprop-1-enyl]phenoxy]benzonitrile |
| MolecularFormula | C20H16N2O2F4 |
| Smiles | N#Cc(cc1)ccc1Oc(c(F)c(c(/C=C/CN1CCOCC1)c1F)F)c1F |
| InChI | InChI=1S/C20H16F4N2O2/c21-16-15(2-1-7-26-8-10-27-11-9-26)17(22)19(24)20(18(16)23)28-14-5-3-13(12-25)4-6-14/h1-6H,7-11H2 |
| InChIK | QZDCBJPCVSBCEF-UHFFFAOYSA-N |
| TotalMolweight | 392.351 |
| Molweight | 392.351 |
| MonoisotopicMass | 392.11479 |
| CLogP | 3.6471 |
| CLogS | -6.04 |
| H Acceptors | 4 |
| TotalSurfaceArea | 292.23 |
| Relative PSA | 0.12699 |
| PolarSurfaceArea | 45.49 |
| Druglikeness | -4.1306 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-[2,3,5,6-tetrafluoro-4-[(E)-3-morpholin-4-ylprop-1-enyl]phenoxy]benzonitrile | 2 - 4-[2,3,5,6-tetrafluoro-4-[(E)-3-morpholin-4-ylprop-1-enyl]phenoxy]benzonitrile
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