(E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
Formula:C25H13O3ClF6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one |
| MolecularFormula | C25H13O3ClF6 |
| Smiles | O=C(/C=C/c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1)c1ccc(-c2cc(C(F)(F)F)ccc2)o1 |
| InChI | InChI=1S/C25H13ClF6O3/c26-19-7-4-16(25(30,31)32)13-18(19)22-9-6-17(34-22)5-8-20(33)23-11-10-21(35-23)14-2-1-3-15(12-14)24(27,28)29/h1-13H |
| InChIK | AEIITPZBHIMDIA-UHFFFAOYSA-N |
| TotalMolweight | 510.816 |
| Molweight | 510.816 |
| MonoisotopicMass | 510.04574 |
| CLogP | 7.4842 |
| CLogS | -9.052 |
| H Acceptors | 3 |
| TotalSurfaceArea | 350.51 |
| Relative PSA | 0.11771 |
| PolarSurfaceArea | 43.35 |
| Druglikeness | -5.0703 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one | 2 - (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
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