(E)-1-(4-methoxyphenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
Formula:C20H16O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-1-(4-methoxyphenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-methoxyphenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one |
| MolecularFormula | C20H16O3 |
| Smiles | COc(cc1)ccc1C(/C=C/c1ccc(-c2ccccc2)o1)=O |
| InChI | InChI=1S/C20H16O3/c1-22-17-9-7-15(8-10-17)19(21)13-11-18-12-14-20(23-18)16-5-3-2-4-6-16/h2-14H,1H3 |
| InChIK | ARIDYHOPBPBUHW-UHFFFAOYSA-N |
| TotalMolweight | 304.344 |
| Molweight | 304.344 |
| MonoisotopicMass | 304.109945 |
| CLogP | 4.1727 |
| CLogS | -5.318 |
| H Acceptors | 3 |
| TotalSurfaceArea | 248.98 |
| Relative PSA | 0.14921 |
| PolarSurfaceArea | 39.44 |
| Druglikeness | 1.8305 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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