(4Z)-4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
Formula:C23H15NO3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C23H15NO3ClF |
| Smiles | O=C1OC(c2cc(F)ccc2)=N/C1=C\c(cc1)ccc1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C23H15ClFNO3/c24-18-8-4-16(5-9-18)14-28-20-10-6-15(7-11-20)12-21-23(27)29-22(26-21)17-2-1-3-19(25)13-17/h1-13H,14H2 |
| InChIK | FZBAEKMJQKUNNV-UHFFFAOYSA-N |
| TotalMolweight | 407.827 |
| Molweight | 407.827 |
| MonoisotopicMass | 407.072449 |
| CLogP | 4.6467 |
| CLogS | -6.31 |
| H Acceptors | 4 |
| TotalSurfaceArea | 300.24 |
| Relative PSA | 0.14838 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -0.53451 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (4Z)-4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one | 2 - (4Z)-4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
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