(4E)-2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
Formula:C16H8NO2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C16H8NO2Cl2F |
| Smiles | O=C1OC(c(cc2)cc(Cl)c2Cl)=N/C1=C/c(cc1)ccc1F |
| InChI | InChI=1S/C16H8Cl2FNO2/c17-12-6-3-10(8-13(12)18)15-20-14(16(21)22-15)7-9-1-4-11(19)5-2-9/h1-8H |
| InChIK | KHEQGGNZNHEPMP-UHFFFAOYSA-N |
| TotalMolweight | 336.149 |
| Molweight | 336.149 |
| MonoisotopicMass | 334.991611 |
| CLogP | 3.9046 |
| CLogS | -5.705 |
| H Acceptors | 3 |
| TotalSurfaceArea | 232.14 |
| Relative PSA | 0.14883 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -0.4089 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (4E)-2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one | 2 - (4E)-2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
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