(E)-1,2-diphenyl-4-(4-phenylphenyl)but-2-ene-1,4-dione
Formula:C28H20O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,2-diphenyl-4-(4-phenylphenyl)but-2-ene-1,4-dione is not a drug-like molecule.
| MolName | (E)-1,2-diphenyl-4-(4-phenylphenyl)but-2-ene-1,4-dione |
| MolecularFormula | C28H20O2 |
| Smiles | O=C(/C=C(/C(c1ccccc1)=O)\c1ccccc1)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C28H20O2/c29-27(24-18-16-22(17-19-24)21-10-4-1-5-11-21)20-26(23-12-6-2-7-13-23)28(30)25-14-8-3-9-15-25/h1-20H |
| InChIK | TVHIRCREDUOOTK-UHFFFAOYSA-N |
| TotalMolweight | 388.465 |
| Molweight | 388.465 |
| MonoisotopicMass | 388.14633 |
| CLogP | 5.737 |
| CLogS | -6.971 |
| H Acceptors | 2 |
| TotalSurfaceArea | 312.75 |
| Relative PSA | 0.083389 |
| PolarSurfaceArea | 34.14 |
| Druglikeness | 1.035 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - (E)-1,2-diphenyl-4-(4-phenylphenyl)but-2-ene-1,4-dione | 2 - (E)-1,2-diphenyl-4-(4-phenylphenyl)but-2-ene-1,4-dione
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