(E)-1-[3-(trifluoromethoxy)phenyl]-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one
Formula:C21H12O4F6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-1-[3-(trifluoromethoxy)phenyl]-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-[3-(trifluoromethoxy)phenyl]-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one |
| MolecularFormula | C21H12O4F6 |
| Smiles | O=C(/C=C/c1ccc(-c(cccc2)c2OC(F)(F)F)o1)c1cc(OC(F)(F)F)ccc1 |
| InChI | InChI=1S/C21H12F6O4/c22-20(23,24)30-15-5-3-4-13(12-15)17(28)10-8-14-9-11-18(29-14)16-6-1-2-7-19(16)31-21(25,26)27/h1-12H |
| InChIK | GPHUZZNZWRVTQO-UHFFFAOYSA-N |
| TotalMolweight | 442.31 |
| Molweight | 442.31 |
| MonoisotopicMass | 442.063978 |
| CLogP | 6.4407 |
| CLogS | -7.346 |
| H Acceptors | 4 |
| TotalSurfaceArea | 305.64 |
| Relative PSA | 0.15427 |
| PolarSurfaceArea | 48.67 |
| Druglikeness | -6.2476 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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