[3-(trifluoromethyl)phenyl]methyl (E)-3-(furan-2-yl)prop-2-enoate
Formula:C15H11O3F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[3-(trifluoromethyl)phenyl]methyl (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [3-(trifluoromethyl)phenyl]methyl (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C15H11O3F3 |
| Smiles | O=C(/C=C/c1ccco1)OCc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C15H11F3O3/c16-15(17,18)12-4-1-3-11(9-12)10-21-14(19)7-6-13-5-2-8-20-13/h1-9H,10H2 |
| InChIK | TVPGHUNJZNZULR-UHFFFAOYSA-N |
| TotalMolweight | 296.243 |
| Molweight | 296.243 |
| MonoisotopicMass | 296.066029 |
| CLogP | 3.3569 |
| CLogS | -3.91 |
| H Acceptors | 3 |
| TotalSurfaceArea | 220.18 |
| Relative PSA | 0.16873 |
| PolarSurfaceArea | 39.44 |
| Druglikeness | -10.102 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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