(E)-1,5-bis(4-bromophenyl)-3-phenylpent-2-ene-1,5-dione
Formula:C23H16O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-1,5-bis(4-bromophenyl)-3-phenylpent-2-ene-1,5-dione is not a drug-like molecule.
| MolName | (E)-1,5-bis(4-bromophenyl)-3-phenylpent-2-ene-1,5-dione |
| MolecularFormula | C23H16O2Br2 |
| Smiles | O=C(C/C(/c1ccccc1)=C\C(c(cc1)ccc1Br)=O)c(cc1)ccc1Br |
| InChI | InChI=1S/C23H16Br2O2/c24-20-10-6-17(7-11-20)22(26)14-19(16-4-2-1-3-5-16)15-23(27)18-8-12-21(25)13-9-18/h1-14H,15H2 |
| InChIK | PYFPPULKJPOTNX-UHFFFAOYSA-N |
| TotalMolweight | 484.186 |
| Molweight | 484.186 |
| MonoisotopicMass | 481.951702 |
| CLogP | 5.9826 |
| CLogS | -6.823 |
| H Acceptors | 2 |
| TotalSurfaceArea | 304.01 |
| Relative PSA | 0.085787 |
| PolarSurfaceArea | 34.14 |
| Druglikeness | -1.2751 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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