[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 4-(trifluoromethyl)benzoate
Formula:C23H14O3F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 4-(trifluoromethyl)benzoate is not a drug-like molecule.
| MolName | [4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 4-(trifluoromethyl)benzoate |
| MolecularFormula | C23H14O3F4 |
| Smiles | O=C(/C=C/c(cc1)ccc1F)c(cc1)ccc1OC(c1ccc(C(F)(F)F)cc1)=O |
| InChI | InChI=1S/C23H14F4O3/c24-19-10-1-15(2-11-19)3-14-21(28)16-6-12-20(13-7-16)30-22(29)17-4-8-18(9-5-17)23(25,26)27/h1-14H |
| InChIK | CLAFORNURXUTRS-UHFFFAOYSA-N |
| TotalMolweight | 414.353 |
| Molweight | 414.353 |
| MonoisotopicMass | 414.087907 |
| CLogP | 5.6834 |
| CLogS | -6.402 |
| H Acceptors | 3 |
| TotalSurfaceArea | 300.59 |
| Relative PSA | 0.12003 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | -7.1118 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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