(4E)-4-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
Formula:C16H11NO2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-4-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-1,3-oxazol-5-one |
| MolecularFormula | C16H11NO2S |
| Smiles | O=C1OC(c2cccs2)=N/C1=C/C=C/c1ccccc1 |
| InChI | InChI=1S/C16H11NO2S/c18-16-13(9-4-8-12-6-2-1-3-7-12)17-15(19-16)14-10-5-11-20-14/h1-11H |
| InChIK | DXWWRQYWFADOCG-UHFFFAOYSA-N |
| TotalMolweight | 281.334 |
| Molweight | 281.334 |
| MonoisotopicMass | 281.051049 |
| CLogP | 3.115 |
| CLogS | -4.241 |
| H Acceptors | 3 |
| TotalSurfaceArea | 217.39 |
| Relative PSA | 0.25259 |
| PolarSurfaceArea | 66.9 |
| Druglikeness | 2.7867 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (4E)-4-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-1,3-oxazol-5-one | 2 - (4E)-4-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
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