(4Z)-4-[(5-bromo-2-fluorophenyl)methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one
Formula:C16H7NO2BrCl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(5-bromo-2-fluorophenyl)methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(5-bromo-2-fluorophenyl)methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C16H7NO2BrCl2F |
| Smiles | O=C1OC(c(ccc(Cl)c2)c2Cl)=N/C1=C\c(cc(cc1)Br)c1F |
| InChI | InChI=1S/C16H7BrCl2FNO2/c17-9-1-4-13(20)8(5-9)6-14-16(22)23-15(21-14)11-3-2-10(18)7-12(11)19/h1-7H |
| InChIK | NYCKCNHCRUPLBU-UHFFFAOYSA-N |
| TotalMolweight | 415.045 |
| Molweight | 415.045 |
| MonoisotopicMass | 412.902122 |
| CLogP | 4.6298 |
| CLogS | -6.539 |
| H Acceptors | 3 |
| TotalSurfaceArea | 250.77 |
| Relative PSA | 0.13778 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -2.1989 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| 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-[(5-bromo-2-fluorophenyl)methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one | 2 - (4Z)-4-[(5-bromo-2-fluorophenyl)methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one
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