(E)-3-(3-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
Formula:C21H15OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(3-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one |
| MolecularFormula | C21H15OF |
| Smiles | O=C(/C=C/c1cccc(F)c1)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C21H15FO/c22-20-8-4-5-16(15-20)9-14-21(23)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-15H |
| InChIK | HZRUTBMHYZCVBS-UHFFFAOYSA-N |
| TotalMolweight | 302.347 |
| Molweight | 302.347 |
| MonoisotopicMass | 302.110693 |
| CLogP | 5.0638 |
| CLogS | -6.24 |
| H Acceptors | 1 |
| TotalSurfaceArea | 243.38 |
| Relative PSA | 0.053579 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -1.2275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| StereoCon |
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