(4E)-2-(4-bromophenyl)-4-[(3-bromophenyl)methylidene]-1,3-oxazol-5-one
Formula:C16H9NO2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-(4-bromophenyl)-4-[(3-bromophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(4-bromophenyl)-4-[(3-bromophenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C16H9NO2Br2 |
| Smiles | O=C1OC(c(cc2)ccc2Br)=N/C1=C/c1cccc(Br)c1 |
| InChI | InChI=1S/C16H9Br2NO2/c17-12-6-4-11(5-7-12)15-19-14(16(20)21-15)9-10-2-1-3-13(18)8-10/h1-9H |
| InChIK | QSVKFIZIGFLJEH-UHFFFAOYSA-N |
| TotalMolweight | 407.06 |
| Molweight | 407.06 |
| MonoisotopicMass | 404.900001 |
| CLogP | 4.0422 |
| CLogS | -5.587 |
| H Acceptors | 3 |
| TotalSurfaceArea | 232.21 |
| Relative PSA | 0.14879 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -0.95291 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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