(E)-3-(2-phenylmethoxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
Formula:C20H16O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-phenylmethoxyphenyl)-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(2-phenylmethoxyphenyl)-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C20H16O2S |
| Smiles | O=C(/C=C/c(cccc1)c1OCc1ccccc1)c1cccs1 |
| InChI | InChI=1S/C20H16O2S/c21-18(20-11-6-14-23-20)13-12-17-9-4-5-10-19(17)22-15-16-7-2-1-3-8-16/h1-14H,15H2 |
| InChIK | AVFMWTWKEKATEN-UHFFFAOYSA-N |
| TotalMolweight | 320.411 |
| Molweight | 320.411 |
| MonoisotopicMass | 320.0871 |
| CLogP | 4.5185 |
| CLogS | -5.191 |
| H Acceptors | 2 |
| TotalSurfaceArea | 256.73 |
| Relative PSA | 0.16905 |
| PolarSurfaceArea | 54.54 |
| Druglikeness | 2.5195 |
| Mutagenic | none |
| 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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