(4Z)-4-[[4-[(3-bromophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
Formula:C23H13NO3BrFI2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[[4-[(3-bromophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one is not a drug-like molecule.
| MolName | (4Z)-4-[[4-[(3-bromophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C23H13NO3BrFI2 |
| Smiles | O=C1OC(c(cccc2)c2F)=N/C1=C\c(cc1I)cc(I)c1OCc1cc(Br)ccc1 |
| InChI | InChI=1S/C23H13BrFI2NO3/c24-15-5-3-4-13(8-15)12-30-21-18(26)9-14(10-19(21)27)11-20-23(29)31-22(28-20)16-6-1-2-7-17(16)25/h1-11H,12H2 |
| InChIK | ASYSNIOLDMPLDU-UHFFFAOYSA-N |
| TotalMolweight | 704.062 |
| Molweight | 704.062 |
| MonoisotopicMass | 702.815229 |
| CLogP | 5.6401 |
| CLogS | -8.44 |
| H Acceptors | 4 |
| TotalSurfaceArea | 356.01 |
| Relative PSA | 0.12514 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -1.8562 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - (4Z)-4-[[4-[(3-bromophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one | 2 - (4Z)-4-[[4-[(3-bromophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
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