(4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
Formula:C16H8NO2ClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C16H8NO2ClF2 |
| Smiles | O=C1OC(c(cccc2)c2F)=N/C1=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C16H8ClF2NO2/c17-11-5-3-7-13(19)10(11)8-14-16(21)22-15(20-14)9-4-1-2-6-12(9)18/h1-8H |
| InChIK | SHLJNYAFTRUHAX-UHFFFAOYSA-N |
| TotalMolweight | 319.694 |
| Molweight | 319.694 |
| MonoisotopicMass | 319.021162 |
| CLogP | 3.3994 |
| CLogS | -5.283 |
| H Acceptors | 3 |
| TotalSurfaceArea | 223.07 |
| Relative PSA | 0.15488 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -0.4089 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| 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 |
| StereoCon |
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1 - (4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one | 2 - (4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
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