(4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5-one
Formula:C18H10N2O4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5-one |
| MolecularFormula | C18H10N2O4ClF |
| Smiles | [O-][N+](c1cccc(/C=C/C(OC2=O)=N/C2=C\c(c(F)ccc2)c2Cl)c1)=O |
| InChI | InChI=1S/C18H10ClFN2O4/c19-14-5-2-6-15(20)13(14)10-16-18(23)26-17(21-16)8-7-11-3-1-4-12(9-11)22(24)25/h1-10H |
| InChIK | QHMBSXYNKYGXQT-UHFFFAOYSA-N |
| TotalMolweight | 372.738 |
| Molweight | 372.738 |
| MonoisotopicMass | 372.031313 |
| CLogP | 2.7315 |
| CLogS | -5.799 |
| H Acceptors | 6 |
| TotalSurfaceArea | 266.89 |
| Relative PSA | 0.24343 |
| PolarSurfaceArea | 84.48 |
| Druglikeness | -5.339 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5-one | 2 - (4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5-one
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