(E)-1-(4-bromophenyl)-3-(2,6-dichlorophenyl)sulfanylprop-2-en-1-one
Formula:C15H9OBrCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-bromophenyl)-3-(2,6-dichlorophenyl)sulfanylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-bromophenyl)-3-(2,6-dichlorophenyl)sulfanylprop-2-en-1-one |
| MolecularFormula | C15H9OBrCl2S |
| Smiles | O=C(/C=C/Sc(c(Cl)ccc1)c1Cl)c(cc1)ccc1Br |
| InChI | InChI=1S/C15H9BrCl2OS/c16-11-6-4-10(5-7-11)14(19)8-9-20-15-12(17)2-1-3-13(15)18/h1-9H |
| InChIK | DJMWTYLOLDOQAG-UHFFFAOYSA-N |
| TotalMolweight | 388.111 |
| Molweight | 388.111 |
| MonoisotopicMass | 385.89345 |
| CLogP | 5.2875 |
| CLogS | -6.534 |
| H Acceptors | 1 |
| TotalSurfaceArea | 244.23 |
| Relative PSA | 0.12501 |
| PolarSurfaceArea | 42.37 |
| Druglikeness | -1.3747 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
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