4-thiophen-2-yl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole
Formula:C16H10NF3S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-thiophen-2-yl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole is not a drug-like molecule.
| MolName | 4-thiophen-2-yl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole |
| MolecularFormula | C16H10NF3S2 |
| Smiles | FC(c1cccc(/C=C/c2nc(-c3cccs3)cs2)c1)(F)F |
| InChI | InChI=1S/C16H10F3NS2/c17-16(18,19)12-4-1-3-11(9-12)6-7-15-20-13(10-22-15)14-5-2-8-21-14/h1-10H |
| InChIK | WZBQEPZWLSLCGH-UHFFFAOYSA-N |
| TotalMolweight | 337.388 |
| Molweight | 337.388 |
| MonoisotopicMass | 337.020673 |
| CLogP | 5.3187 |
| CLogS | -5.259 |
| H Acceptors | 1 |
| TotalSurfaceArea | 239.38 |
| Relative PSA | 0.21593 |
| PolarSurfaceArea | 69.37 |
| Druglikeness | -3.685 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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