(E)-1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione
Formula:C23H17O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione is a drug-like molecule.
| MolName | (E)-1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione |
| MolecularFormula | C23H17O2F |
| Smiles | O=C(C/C(/c1ccccc1)=C\C(c(cc1)ccc1F)=O)c1ccccc1 |
| InChI | InChI=1S/C23H17FO2/c24-21-13-11-19(12-14-21)23(26)16-20(17-7-3-1-4-8-17)15-22(25)18-9-5-2-6-10-18/h1-14,16H,15H2 |
| InChIK | FZZCMODMGKYQGD-UHFFFAOYSA-N |
| TotalMolweight | 344.384 |
| Molweight | 344.384 |
| MonoisotopicMass | 344.121258 |
| CLogP | 4.633 |
| CLogS | -5.469 |
| H Acceptors | 2 |
| TotalSurfaceArea | 273.1 |
| Relative PSA | 0.095496 |
| PolarSurfaceArea | 34.14 |
| Druglikeness | -0.82509 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - (E)-1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione | 2 - (E)-1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione
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