4-(4-fluorophenyl)-2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole
Formula:C18H11NF4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(4-fluorophenyl)-2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole is not a drug-like molecule.
| MolName | 4-(4-fluorophenyl)-2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole |
| MolecularFormula | C18H11NF4S |
| Smiles | FC(c1c(/C=C/c2nc(-c(cc3)ccc3F)cs2)cccc1)(F)F |
| InChI | InChI=1S/C18H11F4NS/c19-14-8-5-13(6-9-14)16-11-24-17(23-16)10-7-12-3-1-2-4-15(12)18(20,21)22/h1-11H |
| InChIK | LOEDWOBWZWTMCR-UHFFFAOYSA-N |
| TotalMolweight | 349.35 |
| Molweight | 349.35 |
| MonoisotopicMass | 349.054831 |
| CLogP | 5.396 |
| CLogS | -5.652 |
| H Acceptors | 1 |
| TotalSurfaceArea | 249.79 |
| Relative PSA | 0.12543 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | -4.7103 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-(4-fluorophenyl)-2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole | 2 - 4-(4-fluorophenyl)-2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole
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