[2-[(E)-[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] furan-2-carboxylate
Formula:C21H12NO5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(E)-[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [2-[(E)-[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C21H12NO5Br |
| Smiles | O=C(c1ccco1)Oc1c(/C=C2/N=C(c(cc3)ccc3Br)OC2=O)cccc1 |
| InChI | InChI=1S/C21H12BrNO5/c22-15-9-7-13(8-10-15)19-23-16(20(24)28-19)12-14-4-1-2-5-17(14)27-21(25)18-6-3-11-26-18/h1-12H |
| InChIK | DCGDDZSHWNFVBT-UHFFFAOYSA-N |
| TotalMolweight | 438.232 |
| Molweight | 438.232 |
| MonoisotopicMass | 436.989885 |
| CLogP | 3.9362 |
| CLogS | -5.905 |
| H Acceptors | 6 |
| TotalSurfaceArea | 290.78 |
| Relative PSA | 0.24658 |
| PolarSurfaceArea | 78.1 |
| Druglikeness | -0.99776 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [2-[(E)-[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] furan-2-carboxylate | 2 - [2-[(E)-[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] furan-2-carboxylate
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