(4Z)-4-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
Formula:C23H14NO3ClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C23H14NO3ClF2 |
| Smiles | O=C1OC(c2cc(F)ccc2)=N/C1=C\c(cc1)ccc1OCc(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C23H14ClF2NO3/c24-19-5-2-6-20(26)18(19)13-29-17-9-7-14(8-10-17)11-21-23(28)30-22(27-21)15-3-1-4-16(25)12-15/h1-12H,13H2 |
| InChIK | VCYUUMSBNMKEEC-UHFFFAOYSA-N |
| TotalMolweight | 425.817 |
| Molweight | 425.817 |
| MonoisotopicMass | 425.063027 |
| CLogP | 4.7475 |
| CLogS | -6.624 |
| H Acceptors | 4 |
| TotalSurfaceArea | 306.59 |
| Relative PSA | 0.14531 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -0.53451 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (4Z)-4-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one | 2 - (4Z)-4-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
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