(E)-3-(4-bromophenyl)sulfonyl-1-(4-chlorophenyl)prop-2-en-1-one
Formula:C15H10O3BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)sulfonyl-1-(4-chlorophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)sulfonyl-1-(4-chlorophenyl)prop-2-en-1-one |
| MolecularFormula | C15H10O3BrClS |
| Smiles | O=C(/C=C/S(c(cc1)ccc1Br)(=O)=O)c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H10BrClO3S/c16-12-3-7-14(8-4-12)21(19,20)10-9-15(18)11-1-5-13(17)6-2-11/h1-10H |
| InChIK | MTRBKEBYRGILFE-UHFFFAOYSA-N |
| TotalMolweight | 385.664 |
| Molweight | 385.664 |
| MonoisotopicMass | 383.922253 |
| CLogP | 3.2063 |
| CLogS | -5.367 |
| H Acceptors | 3 |
| TotalSurfaceArea | 239.9 |
| Relative PSA | 0.17349 |
| PolarSurfaceArea | 59.59 |
| Druglikeness | 0.97379 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
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