(Z)-2-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one
Formula:C21H14O3BrFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-2-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one |
| MolecularFormula | C21H14O3BrFS |
| Smiles | O=C(/C(/S(c(cc1)ccc1Br)(=O)=O)=C/c(cc1)ccc1F)c1ccccc1 |
| InChI | InChI=1S/C21H14BrFO3S/c22-17-8-12-19(13-9-17)27(25,26)20(14-15-6-10-18(23)11-7-15)21(24)16-4-2-1-3-5-16/h1-14H |
| InChIK | URXGLOUIRWKYMA-UHFFFAOYSA-N |
| TotalMolweight | 445.307 |
| Molweight | 445.307 |
| MonoisotopicMass | 443.983104 |
| CLogP | 4.5435 |
| CLogS | -6.559 |
| H Acceptors | 3 |
| TotalSurfaceArea | 288.8 |
| Relative PSA | 0.14411 |
| PolarSurfaceArea | 59.59 |
| Druglikeness | -1.6927 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| StereoCon |
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