(E)-1-(2,6-difluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C22H16O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(2,6-difluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(2,6-difluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C22H16O2F2 |
| Smiles | O=C(/C=C/c(cc1)ccc1OCc1ccccc1)c(c(F)ccc1)c1F |
| InChI | InChI=1S/C22H16F2O2/c23-19-7-4-8-20(24)22(19)21(25)14-11-16-9-12-18(13-10-16)26-15-17-5-2-1-3-6-17/h1-14H,15H2 |
| InChIK | HVHROOIVCVTTKV-UHFFFAOYSA-N |
| TotalMolweight | 350.363 |
| Molweight | 350.363 |
| MonoisotopicMass | 350.111836 |
| CLogP | 4.8535 |
| CLogS | -5.809 |
| H Acceptors | 2 |
| TotalSurfaceArea | 273.49 |
| Relative PSA | 0.084244 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -1.4775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| StereoCon |
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