(E)-1-(1-benzofuran-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:C18H11O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(1-benzofuran-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(1-benzofuran-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
| MolecularFormula | C18H11O2F3 |
| Smiles | O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1cc(cccc2)c2o1 |
| InChI | InChI=1S/C18H11F3O2/c19-18(20,21)14-8-5-12(6-9-14)7-10-15(22)17-11-13-3-1-2-4-16(13)23-17/h1-11H |
| InChIK | RKUNNFAQONJZHD-UHFFFAOYSA-N |
| TotalMolweight | 316.277 |
| Molweight | 316.277 |
| MonoisotopicMass | 316.071114 |
| CLogP | 4.6577 |
| CLogS | -5.801 |
| H Acceptors | 2 |
| TotalSurfaceArea | 231.02 |
| Relative PSA | 0.11752 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | -6.3344 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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