(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
Formula:C23H16NO3Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one |
| MolecularFormula | C23H16NO3Cl2F3 |
| Smiles | O=C(/C=C/Nc(cc1)ccc1OC(F)(F)F)c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C23H16Cl2F3NO3/c24-17-4-1-16(21(25)13-17)14-31-19-7-2-15(3-8-19)22(30)11-12-29-18-5-9-20(10-6-18)32-23(26,27)28/h1-13,29H,14H2 |
| InChIK | OUIFXPUTARPXEK-UHFFFAOYSA-N |
| TotalMolweight | 482.284 |
| Molweight | 482.284 |
| MonoisotopicMass | 481.045932 |
| CLogP | 6.1336 |
| CLogS | -7.622 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 342.55 |
| Relative PSA | 0.12991 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | -7.5988 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| 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 | 6 |
| StereoCon |
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1 - (E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one | 2 - (E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
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