(E)-1-(4-bromophenyl)-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-en-1-one
Formula:C23H20NO5BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-1-(4-bromophenyl)-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-bromophenyl)-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-en-1-one |
| MolecularFormula | C23H20NO5BrS |
| Smiles | O=C(/C=C/c1ccc(-c(cc2)ccc2S(N2CCOCC2)(=O)=O)o1)c(cc1)ccc1Br |
| InChI | InChI=1S/C23H20BrNO5S/c24-19-5-1-17(2-6-19)22(26)11-7-20-8-12-23(30-20)18-3-9-21(10-4-18)31(27,28)25-13-15-29-16-14-25/h1-12H,13-16H2 |
| InChIK | ZASPZWBSFANZPC-UHFFFAOYSA-N |
| TotalMolweight | 502.384 |
| Molweight | 502.384 |
| MonoisotopicMass | 501.024555 |
| CLogP | 4.0107 |
| CLogS | -5.34 |
| H Acceptors | 6 |
| TotalSurfaceArea | 335.77 |
| Relative PSA | 0.20633 |
| PolarSurfaceArea | 85.2 |
| Druglikeness | 1.4808 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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