3-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-2,1-benzoxazole
Formula:C15H9NOClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-2,1-benzoxazole is a drug-like molecule.
| MolName | 3-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-2,1-benzoxazole |
| MolecularFormula | C15H9NOClF |
| Smiles | Fc1cccc(Cl)c1/C=C/c1c(cccc2)c2no1 |
| InChI | InChI=1S/C15H9ClFNO/c16-12-5-3-6-13(17)10(12)8-9-15-11-4-1-2-7-14(11)18-19-15/h1-9H |
| InChIK | SJZRXFHKJJFUNI-UHFFFAOYSA-N |
| TotalMolweight | 273.693 |
| Molweight | 273.693 |
| MonoisotopicMass | 273.035669 |
| CLogP | 4.3546 |
| CLogS | -5.424 |
| H Acceptors | 2 |
| TotalSurfaceArea | 204.34 |
| Relative PSA | 0.12274 |
| PolarSurfaceArea | 26.03 |
| Druglikeness | 0.11427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-2,1-benzoxazole | 2 - 3-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-2,1-benzoxazole
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