(E)-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:C14H9O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one |
| MolecularFormula | C14H9O2F3 |
| Smiles | O=C(/C=C/c1cccc(C(F)(F)F)c1)c1cocc1 |
| InChI | InChI=1S/C14H9F3O2/c15-14(16,17)12-3-1-2-10(8-12)4-5-13(18)11-6-7-19-9-11/h1-9H |
| InChIK | IYRODEMINSZQLO-UHFFFAOYSA-N |
| TotalMolweight | 266.217 |
| Molweight | 266.217 |
| MonoisotopicMass | 266.055464 |
| CLogP | 3.2868 |
| CLogS | -4.276 |
| H Acceptors | 2 |
| TotalSurfaceArea | 196.42 |
| Relative PSA | 0.13822 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | -6.5838 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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