(2E,4E)-1-(4-fluorophenyl)-5-phenylpenta-2,4-dien-1-one
Formula:C17H13OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,4E)-1-(4-fluorophenyl)-5-phenylpenta-2,4-dien-1-one is a drug-like molecule.
| MolName | (2E,4E)-1-(4-fluorophenyl)-5-phenylpenta-2,4-dien-1-one |
| MolecularFormula | C17H13OF |
| Smiles | O=C(/C=C/C=C/c1ccccc1)c(cc1)ccc1F |
| InChI | InChI=1S/C17H13FO/c18-16-12-10-15(11-13-16)17(19)9-5-4-8-14-6-2-1-3-7-14/h1-13H |
| InChIK | WRVMWLUMYZPQIR-UHFFFAOYSA-N |
| TotalMolweight | 252.287 |
| Molweight | 252.287 |
| MonoisotopicMass | 252.095043 |
| CLogP | 4.0612 |
| CLogS | -4.466 |
| H Acceptors | 1 |
| TotalSurfaceArea | 210.12 |
| Relative PSA | 0.06206 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -0.99441 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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