(E)-N-benzhydryl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C23H18NOF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzhydryl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-benzhydryl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C23H18NOF3 |
| Smiles | O=C(/C=C/c1cccc(C(F)(F)F)c1)NC(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C23H18F3NO/c24-23(25,26)20-13-7-8-17(16-20)14-15-21(28)27-22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16,22H,(H,27,28) |
| InChIK | ZTCNKOPPHFIYFX-UHFFFAOYSA-N |
| TotalMolweight | 381.396 |
| Molweight | 381.396 |
| MonoisotopicMass | 381.134048 |
| CLogP | 5.4098 |
| CLogS | -5.352 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 290.45 |
| Relative PSA | 0.084352 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -6.8402 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-benzhydryl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide | 2 - (E)-N-benzhydryl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
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