(4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one
Formula:C16H7NO2Cl3F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C16H7NO2Cl3F |
| Smiles | O=C1OC(c(cc(cc2)Cl)c2Cl)=N/C1=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C16H7Cl3FNO2/c17-8-4-5-12(19)10(6-8)15-21-14(16(22)23-15)7-9-11(18)2-1-3-13(9)20/h1-7H |
| InChIK | WOGXTJQOBYQOIP-UHFFFAOYSA-N |
| TotalMolweight | 370.594 |
| Molweight | 370.594 |
| MonoisotopicMass | 368.952638 |
| CLogP | 4.5106 |
| CLogS | -6.441 |
| H Acceptors | 3 |
| TotalSurfaceArea | 247.56 |
| Relative PSA | 0.13956 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -0.4089 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-(2,5-dichlorophenyl)-1,3-oxazol-5-one | 2 - (4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one
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