(4E)-2-(5-bromofuran-2-yl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
Formula:C16H10NO3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(4E)-2-(5-bromofuran-2-yl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(5-bromofuran-2-yl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one |
| MolecularFormula | C16H10NO3Br |
| Smiles | O=C1OC(c(o2)ccc2Br)=N/C1=C/C=C/c1ccccc1 |
| InChI | InChI=1S/C16H10BrNO3/c17-14-10-9-13(20-14)15-18-12(16(19)21-15)8-4-7-11-5-2-1-3-6-11/h1-10H |
| InChIK | IRTOPTQATZCIDM-UHFFFAOYSA-N |
| TotalMolweight | 344.163 |
| Molweight | 344.163 |
| MonoisotopicMass | 342.984405 |
| CLogP | 3.2597 |
| CLogS | -4.51 |
| H Acceptors | 4 |
| TotalSurfaceArea | 229.77 |
| Relative PSA | 0.21178 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | -1.2526 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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