(E)-1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:C16H10OClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
| MolecularFormula | C16H10OClF3 |
| Smiles | O=C(/C=C/c1ccc(C(F)(F)F)cc1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H10ClF3O/c17-14-8-4-12(5-9-14)15(21)10-3-11-1-6-13(7-2-11)16(18,19)20/h1-10H |
| InChIK | WISCZQPKOCVKER-UHFFFAOYSA-N |
| TotalMolweight | 310.701 |
| Molweight | 310.701 |
| MonoisotopicMass | 310.037226 |
| CLogP | 4.7581 |
| CLogS | -5.354 |
| H Acceptors | 1 |
| TotalSurfaceArea | 222.15 |
| Relative PSA | 0.058699 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -6.9923 |
| 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 | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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