(E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide
Formula:C23H17NO2Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide |
| MolecularFormula | C23H17NO2Cl4 |
| Smiles | O=C(/C=C/c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl)NCc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C23H17Cl4NO2/c24-18-6-5-17(21(26)12-18)14-30-19-7-1-15(2-8-19)4-10-23(29)28-13-16-3-9-20(25)22(27)11-16/h1-12H,13-14H2,(H,28,29) |
| InChIK | KHKHRROQBAQFBX-UHFFFAOYSA-N |
| TotalMolweight | 481.205 |
| Molweight | 481.205 |
| MonoisotopicMass | 479.001337 |
| CLogP | 6.6178 |
| CLogS | -7.599 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 347.69 |
| Relative PSA | 0.099226 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -0.015023 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide | 2 - (E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide
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