(4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(4-chlorophenyl)-1,3-oxazol-5-one
Formula:C14H7NO2BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(4-chlorophenyl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(4-chlorophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C14H7NO2BrClS |
| Smiles | O=C1OC(c(cc2)ccc2Cl)=N/C1=C\c1cc(Br)cs1 |
| InChI | InChI=1S/C14H7BrClNO2S/c15-9-5-11(20-7-9)6-12-14(18)19-13(17-12)8-1-3-10(16)4-2-8/h1-7H |
| InChIK | ZKXATPWISGHSJD-UHFFFAOYSA-N |
| TotalMolweight | 368.638 |
| Molweight | 368.638 |
| MonoisotopicMass | 366.906937 |
| CLogP | 3.7896 |
| CLogS | -5.499 |
| H Acceptors | 3 |
| TotalSurfaceArea | 224.94 |
| Relative PSA | 0.24411 |
| PolarSurfaceArea | 66.9 |
| Druglikeness | -3.2643 |
| Mutagenic | none |
| 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)-4-[(4-bromothiophen-2-yl)methylidene]-2-(4-chlorophenyl)-1,3-oxazol-5-one | 2 - (4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(4-chlorophenyl)-1,3-oxazol-5-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off