4-(4-fluorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazole
Formula:C17H11NF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-(4-fluorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazole is a drug-like molecule.
| MolName | 4-(4-fluorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazole |
| MolecularFormula | C17H11NF2S |
| Smiles | Fc(cc1)ccc1-c1csc(/C=C/c(cccc2)c2F)n1 |
| InChI | InChI=1S/C17H11F2NS/c18-14-8-5-13(6-9-14)16-11-21-17(20-16)10-7-12-3-1-2-4-15(12)19/h1-11H |
| InChIK | YVWNELUCYHEACA-UHFFFAOYSA-N |
| TotalMolweight | 299.343 |
| Molweight | 299.343 |
| MonoisotopicMass | 299.058025 |
| CLogP | 4.6485 |
| CLogS | -5.188 |
| H Acceptors | 1 |
| TotalSurfaceArea | 226.68 |
| Relative PSA | 0.13821 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | 1.1397 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-(4-fluorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazole | 2 - 4-(4-fluorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazole
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