(E)-3-[4-(N-phenylanilino)phenyl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:C28H20NOF3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-3-[4-(N-phenylanilino)phenyl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[4-(N-phenylanilino)phenyl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one |
| MolecularFormula | C28H20NOF3 |
| Smiles | O=C(/C=C/c(cc1)ccc1N(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C28H20F3NO/c29-28(30,31)23-9-7-8-22(20-23)27(33)19-16-21-14-17-26(18-15-21)32(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-20H |
| InChIK | SLURNRRXOQAJAI-UHFFFAOYSA-N |
| TotalMolweight | 443.467 |
| Molweight | 443.467 |
| MonoisotopicMass | 443.149698 |
| CLogP | 6.7465 |
| CLogS | -8.794 |
| H Acceptors | 2 |
| TotalSurfaceArea | 336.55 |
| Relative PSA | 0.049294 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | -5.7486 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 12 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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