(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one
Formula:C23H16NO2ClF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one |
| MolecularFormula | C23H16NO2ClF4 |
| Smiles | O=C(/C=C/Nc1ccc(C(F)(F)F)cc1)c(cc1)ccc1OCc(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C23H16ClF4NO2/c24-20-2-1-3-21(25)19(20)14-31-18-10-4-15(5-11-18)22(30)12-13-29-17-8-6-16(7-9-17)23(26,27)28/h1-13,29H,14H2 |
| InChIK | RHNBOPXMKPWIMT-UHFFFAOYSA-N |
| TotalMolweight | 449.83 |
| Molweight | 449.83 |
| MonoisotopicMass | 449.080568 |
| CLogP | 5.3777 |
| CLogS | -6.955 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 323.48 |
| Relative PSA | 0.10665 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -6.7888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - (E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one | 2 - (E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one
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