(4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
Formula:C14H8NO2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one |
| MolecularFormula | C14H8NO2BrS |
| Smiles | O=C1OC(c2ccccc2)=N/C1=C\c1cc(Br)cs1 |
| InChI | InChI=1S/C14H8BrNO2S/c15-10-6-11(19-8-10)7-12-14(17)18-13(16-12)9-4-2-1-3-5-9/h1-8H |
| InChIK | XBVYHAJNCKQOET-UHFFFAOYSA-N |
| TotalMolweight | 334.193 |
| Molweight | 334.193 |
| MonoisotopicMass | 332.94591 |
| CLogP | 3.1836 |
| CLogS | -4.763 |
| H Acceptors | 3 |
| TotalSurfaceArea | 209.52 |
| Relative PSA | 0.26208 |
| PolarSurfaceArea | 66.9 |
| Druglikeness | -3.3444 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one | 2 - (4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
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