(E)-3-(2-bromophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
Formula:C15H9OBrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-bromophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(2-bromophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one |
| MolecularFormula | C15H9OBrCl2 |
| Smiles | O=C(/C=C/c(cccc1)c1Br)c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H9BrCl2O/c16-13-4-2-1-3-10(13)5-8-15(19)12-7-6-11(17)9-14(12)18/h1-9H |
| InChIK | LAAZWXCQQOLLSG-UHFFFAOYSA-N |
| TotalMolweight | 356.045 |
| Molweight | 356.045 |
| MonoisotopicMass | 353.92138 |
| CLogP | 5.241 |
| CLogS | -6.146 |
| H Acceptors | 1 |
| TotalSurfaceArea | 226.74 |
| Relative PSA | 0.057511 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -1.5923 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| StereoCon |
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