[3-(trifluoromethyl)phenyl] (E)-3-phenylprop-2-enoate
Formula:C16H11O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-(trifluoromethyl)phenyl] (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | [3-(trifluoromethyl)phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C16H11O2F3 |
| Smiles | O=C(/C=C/c1ccccc1)Oc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C16H11F3O2/c17-16(18,19)13-7-4-8-14(11-13)21-15(20)10-9-12-5-2-1-3-6-12/h1-11H |
| InChIK | ISUMGNBIDIPOMT-UHFFFAOYSA-N |
| TotalMolweight | 292.255 |
| Molweight | 292.255 |
| MonoisotopicMass | 292.071114 |
| CLogP | 4.2676 |
| CLogS | -4.234 |
| H Acceptors | 2 |
| TotalSurfaceArea | 216.73 |
| Relative PSA | 0.10631 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -10.508 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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