(E)-3-(4-chlorophenyl)sulfonyl-1-phenylprop-2-en-1-one
Formula:C15H11O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)sulfonyl-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)sulfonyl-1-phenylprop-2-en-1-one |
| MolecularFormula | C15H11O3ClS |
| Smiles | O=C(/C=C/S(c(cc1)ccc1Cl)(=O)=O)c1ccccc1 |
| InChI | InChI=1S/C15H11ClO3S/c16-13-6-8-14(9-7-13)20(18,19)11-10-15(17)12-4-2-1-3-5-12/h1-11H |
| InChIK | WFMPNWVETKHXOT-UHFFFAOYSA-N |
| TotalMolweight | 306.768 |
| Molweight | 306.768 |
| MonoisotopicMass | 306.011742 |
| CLogP | 2.4811 |
| CLogS | -4.533 |
| H Acceptors | 3 |
| TotalSurfaceArea | 221.27 |
| Relative PSA | 0.1881 |
| PolarSurfaceArea | 59.59 |
| Druglikeness | 0.99242 |
| 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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