(E)-6,6,6-trifluoro-5-hydroxy-5-phenyl-1-thiophen-2-ylhex-1-en-3-one
Formula:C16H13O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-6,6,6-trifluoro-5-hydroxy-5-phenyl-1-thiophen-2-ylhex-1-en-3-one is a drug-like molecule.
| MolName | (E)-6,6,6-trifluoro-5-hydroxy-5-phenyl-1-thiophen-2-ylhex-1-en-3-one |
| MolecularFormula | C16H13O2F3S |
| Smiles | OC(CC(/C=C/c1cccs1)=O)(C(F)(F)F)c1ccccc1 |
| InChI | InChI=1S/C16H13F3O2S/c17-16(18,19)15(21,12-5-2-1-3-6-12)11-13(20)8-9-14-7-4-10-22-14/h1-10,21H,11H2/t15-/m1/s1 |
| InChIK | WANRNSKSNHIDKE-OAHLLOKOSA-N |
| TotalMolweight | 326.337 |
| Molweight | 326.337 |
| MonoisotopicMass | 326.058834 |
| CLogP | 3.9152 |
| CLogS | -4.467 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 233.19 |
| Relative PSA | 0.19941 |
| PolarSurfaceArea | 65.54 |
| Druglikeness | -7.6109 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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