(E)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
Formula:C23H16NO3ClF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one |
| MolecularFormula | C23H16NO3ClF4 |
| Smiles | O=C(/C=C/Nc(cc1)ccc1OC(F)(F)F)c1cccc(OCc(c(F)ccc2)c2Cl)c1 |
| InChI | InChI=1S/C23H16ClF4NO3/c24-20-5-2-6-21(25)19(20)14-31-18-4-1-3-15(13-18)22(30)11-12-29-16-7-9-17(10-8-16)32-23(26,27)28/h1-13,29H,14H2 |
| InChIK | TWTBIYFHPGESOD-UHFFFAOYSA-N |
| TotalMolweight | 465.829 |
| Molweight | 465.829 |
| MonoisotopicMass | 465.075483 |
| CLogP | 5.6284 |
| CLogS | -7.2 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 333.48 |
| Relative PSA | 0.13344 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | -7.5988 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (E)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one | 2 - (E)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
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