(E)-3-(1-benzofuran-2-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C24H17O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1-benzofuran-2-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(1-benzofuran-2-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C24H17O3F |
| Smiles | O=C(/C=C/c1cc(cccc2)c2o1)c(cc(cc1)F)c1OCc1ccccc1 |
| InChI | InChI=1S/C24H17FO3/c25-19-10-13-24(27-16-17-6-2-1-3-7-17)21(15-19)22(26)12-11-20-14-18-8-4-5-9-23(18)28-20/h1-15H,16H2 |
| InChIK | RIBXHVKABDPEPP-UHFFFAOYSA-N |
| TotalMolweight | 372.394 |
| Molweight | 372.394 |
| MonoisotopicMass | 372.116173 |
| CLogP | 5.2583 |
| CLogS | -6.678 |
| H Acceptors | 3 |
| TotalSurfaceArea | 291.43 |
| Relative PSA | 0.12747 |
| PolarSurfaceArea | 39.44 |
| Druglikeness | -1.0088 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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