(E)-3-(furan-2-yl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C20H16O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C20H16O3 |
| Smiles | O=C(/C=C/c1ccco1)c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C20H16O3/c21-19(13-12-17-9-6-14-22-17)18-10-4-5-11-20(18)23-15-16-7-2-1-3-8-16/h1-14H,15H2 |
| InChIK | PUHDIQSOUMEZBX-UHFFFAOYSA-N |
| TotalMolweight | 304.344 |
| Molweight | 304.344 |
| MonoisotopicMass | 304.109945 |
| CLogP | 3.8406 |
| CLogS | -4.863 |
| H Acceptors | 3 |
| TotalSurfaceArea | 250.48 |
| Relative PSA | 0.14832 |
| PolarSurfaceArea | 39.44 |
| Druglikeness | 0.15657 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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