(E)-3-(3-bromophenyl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one
Formula:C15H8OBrCl3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
(E)-3-(3-bromophenyl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(3-bromophenyl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one |
| MolecularFormula | C15H8OBrCl3 |
| Smiles | O=C(/C=C/c1cccc(Br)c1)c(ccc(Cl)c1Cl)c1Cl |
| InChI | InChI=1S/C15H8BrCl3O/c16-10-3-1-2-9(8-10)4-7-13(20)11-5-6-12(17)15(19)14(11)18/h1-8H |
| InChIK | WEOSYSYMYSQDLG-UHFFFAOYSA-N |
| TotalMolweight | 390.491 |
| Molweight | 390.491 |
| MonoisotopicMass | 387.882407 |
| CLogP | 5.847 |
| CLogS | -6.882 |
| H Acceptors | 1 |
| TotalSurfaceArea | 242.16 |
| Relative PSA | 0.053849 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -1.5923 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| StereoCon |
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