(4E)-2-(5-bromofuran-2-yl)-4-[(2-chlorophenyl)methylidene]-1,3-oxazol-5-one
Formula:C14H7NO3BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(4E)-2-(5-bromofuran-2-yl)-4-[(2-chlorophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(5-bromofuran-2-yl)-4-[(2-chlorophenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C14H7NO3BrCl |
| Smiles | O=C1OC(c(o2)ccc2Br)=N/C1=C/c(cccc1)c1Cl |
| InChI | InChI=1S/C14H7BrClNO3/c15-12-6-5-11(19-12)13-17-10(14(18)20-13)7-8-3-1-2-4-9(8)16/h1-7H |
| InChIK | GTFCZIBNONIAIV-UHFFFAOYSA-N |
| TotalMolweight | 352.571 |
| Molweight | 352.571 |
| MonoisotopicMass | 350.929782 |
| CLogP | 3.2091 |
| CLogS | -4.934 |
| H Acceptors | 4 |
| TotalSurfaceArea | 218.69 |
| Relative PSA | 0.22251 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | -1.3355 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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