(4Z)-2-(2-bromophenyl)-4-[(4-bromothiophen-2-yl)methylidene]-1,3-oxazol-5-one
Formula:C14H7NO2Br2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-(2-bromophenyl)-4-[(4-bromothiophen-2-yl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-(2-bromophenyl)-4-[(4-bromothiophen-2-yl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C14H7NO2Br2S |
| Smiles | O=C1OC(c(cccc2)c2Br)=N/C1=C\c1cc(Br)cs1 |
| InChI | InChI=1S/C14H7Br2NO2S/c15-8-5-9(20-7-8)6-12-14(18)19-13(17-12)10-3-1-2-4-11(10)16/h1-7H |
| InChIK | ZDLDKYZYASXAMR-UHFFFAOYSA-N |
| TotalMolweight | 413.089 |
| Molweight | 413.089 |
| MonoisotopicMass | 410.856421 |
| CLogP | 3.9088 |
| CLogS | -5.597 |
| H Acceptors | 3 |
| TotalSurfaceArea | 228.15 |
| Relative PSA | 0.24067 |
| PolarSurfaceArea | 66.9 |
| Druglikeness | -3.3444 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - (4Z)-2-(2-bromophenyl)-4-[(4-bromothiophen-2-yl)methylidene]-1,3-oxazol-5-one | 2 - (4Z)-2-(2-bromophenyl)-4-[(4-bromothiophen-2-yl)methylidene]-1,3-oxazol-5-one
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