(E)-N-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C20H14NOF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C20H14NOF3 |
| Smiles | O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C20H14F3NO/c21-20(22,23)16-8-3-5-14(13-16)11-12-19(25)24-18-10-4-7-15-6-1-2-9-17(15)18/h1-13H,(H,24,25) |
| InChIK | AGULJXOVLYCHNT-UHFFFAOYSA-N |
| TotalMolweight | 341.331 |
| Molweight | 341.331 |
| MonoisotopicMass | 341.102748 |
| CLogP | 5.179 |
| CLogS | -5.882 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 252.79 |
| Relative PSA | 0.096918 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -7.6289 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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