(4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
Formula:C12H6NO3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one |
| MolecularFormula | C12H6NO3BrS |
| Smiles | O=C1OC(c2ccco2)=N/C1=C\c1cc(Br)cs1 |
| InChI | InChI=1S/C12H6BrNO3S/c13-7-4-8(18-6-7)5-9-12(15)17-11(14-9)10-2-1-3-16-10/h1-6H |
| InChIK | WZRYISLBUCUIDR-UHFFFAOYSA-N |
| TotalMolweight | 324.154 |
| Molweight | 324.154 |
| MonoisotopicMass | 322.925175 |
| CLogP | 2.3723 |
| CLogS | -4.445 |
| H Acceptors | 4 |
| TotalSurfaceArea | 199.21 |
| Relative PSA | 0.34647 |
| PolarSurfaceArea | 80.04 |
| Druglikeness | -3.5867 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - (4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one | 2 - (4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
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