(E)-1-(4-phenylphenyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
Formula:C22H16NOF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-phenylphenyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-phenylphenyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one |
| MolecularFormula | C22H16NOF3 |
| Smiles | O=C(/C=C/Nc1cccc(C(F)(F)F)c1)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C22H16F3NO/c23-22(24,25)19-7-4-8-20(15-19)26-14-13-21(27)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h1-15,26H |
| InChIK | NDFKLCUUFAIHMS-UHFFFAOYSA-N |
| TotalMolweight | 367.369 |
| Molweight | 367.369 |
| MonoisotopicMass | 367.118398 |
| CLogP | 4.982 |
| CLogS | -6.65 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 277.95 |
| Relative PSA | 0.088145 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -6.6047 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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