(E)-N-[(4-chlorophenyl)methyl]-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide
Formula:C23H18NO2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(4-chlorophenyl)methyl]-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[(4-chlorophenyl)methyl]-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide |
| MolecularFormula | C23H18NO2Cl3 |
| Smiles | O=C(/C=C/c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl)NCc(cc1)ccc1Cl |
| InChI | InChI=1S/C23H18Cl3NO2/c24-19-7-1-17(2-8-19)14-27-23(28)12-5-16-3-10-21(11-4-16)29-15-18-6-9-20(25)13-22(18)26/h1-13H,14-15H2,(H,27,28) |
| InChIK | MHQGWMUGQLMTGH-UHFFFAOYSA-N |
| TotalMolweight | 446.76 |
| Molweight | 446.76 |
| MonoisotopicMass | 445.04031 |
| CLogP | 6.0118 |
| CLogS | -6.863 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 332.27 |
| Relative PSA | 0.10383 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -0.015023 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-[(4-chlorophenyl)methyl]-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide | 2 - (E)-N-[(4-chlorophenyl)methyl]-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide
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