(4E)-2-(3-fluorophenyl)-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
Formula:C22H14NO2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-(3-fluorophenyl)-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(3-fluorophenyl)-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C22H14NO2F |
| Smiles | O=C1OC(c2cccc(F)c2)=N/C1=C/c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C22H14FNO2/c23-19-8-4-7-18(14-19)21-24-20(22(25)26-21)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-14H |
| InChIK | FSVQEBMSFJYWBW-UHFFFAOYSA-N |
| TotalMolweight | 343.356 |
| Molweight | 343.356 |
| MonoisotopicMass | 343.100857 |
| CLogP | 4.3518 |
| CLogS | -6.319 |
| H Acceptors | 3 |
| TotalSurfaceArea | 261.06 |
| Relative PSA | 0.13235 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -0.50291 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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