(E)-3-[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:C21H10O2Cl2F6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
| MolecularFormula | C21H10O2Cl2F6 |
| Smiles | O=C(/C=C/c1ccc(-c(c(Cl)cc(C(F)(F)F)c2)c2Cl)o1)c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C21H10Cl2F6O2/c22-15-9-13(21(27,28)29)10-16(23)19(15)18-8-6-14(31-18)5-7-17(30)11-1-3-12(4-2-11)20(24,25)26/h1-10H |
| InChIK | MIGYZEARHCIGAL-UHFFFAOYSA-N |
| TotalMolweight | 479.202 |
| Molweight | 479.202 |
| MonoisotopicMass | 477.996202 |
| CLogP | 7.1513 |
| CLogS | -8.328 |
| H Acceptors | 2 |
| TotalSurfaceArea | 316.48 |
| Relative PSA | 0.085787 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | -5.367 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 9 |
| StereoCon |
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1 - (E)-3-[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one | 2 - (E)-3-[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
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