(E)-1-(2,4-dichlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:C16H9OCl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(2,4-dichlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(2,4-dichlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
| MolecularFormula | C16H9OCl2F3 |
| Smiles | O=C(/C=C/c1ccc(C(F)(F)F)cc1)c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H9Cl2F3O/c17-12-6-7-13(14(18)9-12)15(22)8-3-10-1-4-11(5-2-10)16(19,20)21/h1-9H |
| InChIK | DJVJDHOXGRJWFQ-UHFFFAOYSA-N |
| TotalMolweight | 345.146 |
| Molweight | 345.146 |
| MonoisotopicMass | 343.998253 |
| CLogP | 5.3641 |
| CLogS | -6.09 |
| H Acceptors | 1 |
| TotalSurfaceArea | 237.57 |
| Relative PSA | 0.054889 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -6.9923 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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