(E)-1,4-bis(4-bromophenyl)but-2-ene-1,4-dione
Formula:C16H10O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,4-bis(4-bromophenyl)but-2-ene-1,4-dione is a drug-like molecule.
| MolName | (E)-1,4-bis(4-bromophenyl)but-2-ene-1,4-dione |
| MolecularFormula | C16H10O2Br2 |
| Smiles | O=C(/C=C/C(c(cc1)ccc1Br)=O)c(cc1)ccc1Br |
| InChI | InChI=1S/C16H10Br2O2/c17-13-5-1-11(2-6-13)15(19)9-10-16(20)12-3-7-14(18)8-4-12/h1-10H |
| InChIK | XCPFGALFEXMGJF-UHFFFAOYSA-N |
| TotalMolweight | 394.061 |
| Molweight | 394.061 |
| MonoisotopicMass | 391.904752 |
| CLogP | 4.1914 |
| CLogS | -5.596 |
| H Acceptors | 2 |
| TotalSurfaceArea | 232.28 |
| Relative PSA | 0.11228 |
| PolarSurfaceArea | 34.14 |
| Druglikeness | -1.5255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 12 |
| StereoCon |
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1 - (E)-1,4-bis(4-bromophenyl)but-2-ene-1,4-dione | 2 - (E)-1,4-bis(4-bromophenyl)but-2-ene-1,4-dione
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