(4E)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
Formula:C18H12NO2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one |
| MolecularFormula | C18H12NO2Br |
| Smiles | O=C1OC(c(cc2)ccc2Br)=N/C1=C/C=C/c1ccccc1 |
| InChI | InChI=1S/C18H12BrNO2/c19-15-11-9-14(10-12-15)17-20-16(18(21)22-17)8-4-7-13-5-2-1-3-6-13/h1-12H |
| InChIK | RLOBBVDTWSPYHV-UHFFFAOYSA-N |
| TotalMolweight | 354.202 |
| Molweight | 354.202 |
| MonoisotopicMass | 353.00514 |
| CLogP | 3.9736 |
| CLogS | -5.065 |
| H Acceptors | 3 |
| TotalSurfaceArea | 240.08 |
| Relative PSA | 0.14391 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -0.65583 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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