(4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one
Formula:C16H9NO2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C16H9NO2Cl2 |
| Smiles | O=C1OC(c(cc2)ccc2Cl)=N/C1=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H9Cl2NO2/c17-12-5-1-10(2-6-12)9-14-16(20)21-15(19-14)11-3-7-13(18)8-4-11/h1-9H |
| InChIK | QSZPGCWECBZWJH-UHFFFAOYSA-N |
| TotalMolweight | 318.158 |
| Molweight | 318.158 |
| MonoisotopicMass | 317.001033 |
| CLogP | 3.8038 |
| CLogS | -5.391 |
| H Acceptors | 3 |
| TotalSurfaceArea | 225.79 |
| Relative PSA | 0.15302 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 0.9311 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - (4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one | 2 - (4E)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off