(E)-1-phenyl-3-[2-(2,3,5,6-tetrafluoropyridin-4-yl)oxyphenyl]prop-2-en-1-one
Formula:C20H11NO2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-phenyl-3-[2-(2,3,5,6-tetrafluoropyridin-4-yl)oxyphenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-phenyl-3-[2-(2,3,5,6-tetrafluoropyridin-4-yl)oxyphenyl]prop-2-en-1-one |
| MolecularFormula | C20H11NO2F4 |
| Smiles | O=C(/C=C/c(cccc1)c1Oc(c(F)c(nc1F)F)c1F)c1ccccc1 |
| InChI | InChI=1S/C20H11F4NO2/c21-16-18(17(22)20(24)25-19(16)23)27-15-9-5-4-8-13(15)10-11-14(26)12-6-2-1-3-7-12/h1-11H |
| InChIK | UDLQANYJUDJHSU-UHFFFAOYSA-N |
| TotalMolweight | 373.304 |
| Molweight | 373.304 |
| MonoisotopicMass | 373.072591 |
| CLogP | 4.8045 |
| CLogS | -7.648 |
| H Acceptors | 3 |
| TotalSurfaceArea | 271.19 |
| Relative PSA | 0.12541 |
| PolarSurfaceArea | 39.19 |
| Druglikeness | -1.0775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-1-phenyl-3-[2-(2,3,5,6-tetrafluoropyridin-4-yl)oxyphenyl]prop-2-en-1-one | 2 - (E)-1-phenyl-3-[2-(2,3,5,6-tetrafluoropyridin-4-yl)oxyphenyl]prop-2-en-1-one
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