(E)-1-phenyl-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one
Formula:C16H12NOF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-phenyl-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-phenyl-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one |
| MolecularFormula | C16H12NOF3 |
| Smiles | O=C(/C=C/Nc1ccc(C(F)(F)F)cc1)c1ccccc1 |
| InChI | InChI=1S/C16H12F3NO/c17-16(18,19)13-6-8-14(9-7-13)20-11-10-15(21)12-4-2-1-3-5-12/h1-11,20H |
| InChIK | RCFMRJUIGWWPOZ-UHFFFAOYSA-N |
| TotalMolweight | 291.271 |
| Molweight | 291.271 |
| MonoisotopicMass | 291.087098 |
| CLogP | 3.3228 |
| CLogS | -4.564 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 218.19 |
| Relative PSA | 0.11229 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -6.6047 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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