(E)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl chloride
Formula:C14H8O2ClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl chloride is a drug-like molecule.
| MolName | (E)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl chloride |
| MolecularFormula | C14H8O2ClF3 |
| Smiles | O=C(/C=C/c1ccc(-c2cc(C(F)(F)F)ccc2)o1)Cl |
| InChI | InChI=1S/C14H8ClF3O2/c15-13(19)7-5-11-4-6-12(20-11)9-2-1-3-10(8-9)14(16,17)18/h1-8H |
| InChIK | GZCAMVIVIWJAAL-UHFFFAOYSA-N |
| TotalMolweight | 300.663 |
| Molweight | 300.663 |
| MonoisotopicMass | 300.016491 |
| CLogP | 3.643 |
| CLogS | -4.313 |
| H Acceptors | 2 |
| TotalSurfaceArea | 211.84 |
| Relative PSA | 0.12816 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | -15.101 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-halogenide type; allyl/benzyl chloride |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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