(E)-3-(2,4-dichlorophenyl)-1-selenophen-2-ylprop-2-en-1-one
Formula:C13H8OCl2Se
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-1-selenophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-1-selenophen-2-ylprop-2-en-1-one |
| MolecularFormula | C13H8OCl2Se |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)c1ccc[se]1 |
| InChI | InChI=1S/C13H8Cl2OSe/c14-10-5-3-9(11(15)8-10)4-6-12(16)13-2-1-7-17-13/h1-8H |
| InChIK | RZGFUCVNVGLZHR-UHFFFAOYSA-N |
| TotalMolweight | 330.072 |
| Molweight | 330.072 |
| MonoisotopicMass | 329.911739 |
| CLogP | 4.0674 |
| CLogS | -3.656 |
| H Acceptors | 1 |
| TotalSurfaceArea | 183.69 |
| Relative PSA | 0.070989 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -2.837 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | unwanted atom |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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