(4Z)-2-(5-bromofuran-2-yl)-4-[(4-bromophenyl)methylidene]-1,3-oxazol-5-one
Formula:C14H7NO3Br2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-(5-bromofuran-2-yl)-4-[(4-bromophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-(5-bromofuran-2-yl)-4-[(4-bromophenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C14H7NO3Br2 |
| Smiles | O=C1OC(c(o2)ccc2Br)=N/C1=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C14H7Br2NO3/c15-9-3-1-8(2-4-9)7-10-14(18)20-13(17-10)11-5-6-12(16)19-11/h1-7H |
| InChIK | SGJZKNWCALHLEI-UHFFFAOYSA-N |
| TotalMolweight | 397.022 |
| Molweight | 397.022 |
| MonoisotopicMass | 394.879266 |
| CLogP | 3.3283 |
| CLogS | -5.032 |
| H Acceptors | 4 |
| TotalSurfaceArea | 221.9 |
| Relative PSA | 0.21929 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | -1.4164 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| 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 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (4Z)-2-(5-bromofuran-2-yl)-4-[(4-bromophenyl)methylidene]-1,3-oxazol-5-one | 2 - (4Z)-2-(5-bromofuran-2-yl)-4-[(4-bromophenyl)methylidene]-1,3-oxazol-5-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off