(4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5-one
Formula:C14H6NO3BrClI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C14H6NO3BrClI |
| Smiles | O=C1OC(c(cc(cc2)I)c2Cl)=N/C1=C/c(o1)ccc1Br |
| InChI | InChI=1S/C14H6BrClINO3/c15-12-4-2-8(20-12)6-11-14(19)21-13(18-11)9-5-7(17)1-3-10(9)16/h1-6H |
| InChIK | DQIWPROCNRGCDY-UHFFFAOYSA-N |
| TotalMolweight | 478.463 |
| Molweight | 478.463 |
| MonoisotopicMass | 476.82643 |
| CLogP | 3.6462 |
| CLogS | -5.95 |
| H Acceptors | 4 |
| TotalSurfaceArea | 244.97 |
| Relative PSA | 0.19864 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | -0.81996 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - (4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5-one | 2 - (4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5-one
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