(E)-1-(1-benzofuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C24H18O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(1-benzofuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(1-benzofuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C24H18O3 |
| Smiles | O=C(/C=C/c(cc1)ccc1OCc1ccccc1)c1cc(cccc2)c2o1 |
| InChI | InChI=1S/C24H18O3/c25-22(24-16-20-8-4-5-9-23(20)27-24)15-12-18-10-13-21(14-11-18)26-17-19-6-2-1-3-7-19/h1-16H,17H2 |
| InChIK | LHNHDYXUCCZISQ-UHFFFAOYSA-N |
| TotalMolweight | 354.404 |
| Molweight | 354.404 |
| MonoisotopicMass | 354.125595 |
| CLogP | 5.1575 |
| CLogS | -6.364 |
| H Acceptors | 3 |
| TotalSurfaceArea | 285.08 |
| Relative PSA | 0.13031 |
| PolarSurfaceArea | 39.44 |
| Druglikeness | 0.68811 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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