(E)-1-(4-bromophenyl)-4-thiophen-2-yl-2-thiophen-3-ylbut-2-ene-1,4-dione
Formula:C18H11O2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-bromophenyl)-4-thiophen-2-yl-2-thiophen-3-ylbut-2-ene-1,4-dione is a drug-like molecule.
| MolName | (E)-1-(4-bromophenyl)-4-thiophen-2-yl-2-thiophen-3-ylbut-2-ene-1,4-dione |
| MolecularFormula | C18H11O2BrS2 |
| Smiles | O=C(/C=C(/C(c(cc1)ccc1Br)=O)\c1cscc1)c1cccs1 |
| InChI | InChI=1S/C18H11BrO2S2/c19-14-5-3-12(4-6-14)18(21)15(13-7-9-22-11-13)10-16(20)17-2-1-8-23-17/h1-11H |
| InChIK | FZRHLFKXCZPBNU-UHFFFAOYSA-N |
| TotalMolweight | 403.319 |
| Molweight | 403.319 |
| MonoisotopicMass | 401.938381 |
| CLogP | 4.454 |
| CLogS | -5.629 |
| H Acceptors | 2 |
| TotalSurfaceArea | 263.5 |
| Relative PSA | 0.25351 |
| PolarSurfaceArea | 90.62 |
| Druglikeness | 1.2465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (E)-1-(4-bromophenyl)-4-thiophen-2-yl-2-thiophen-3-ylbut-2-ene-1,4-dione | 2 - (E)-1-(4-bromophenyl)-4-thiophen-2-yl-2-thiophen-3-ylbut-2-ene-1,4-dione
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