(Z)-6,6,6-trifluoro-1-(furan-2-yl)-5-hydroxy-5-phenylhex-1-en-3-one
Formula:C16H13O3F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(Z)-6,6,6-trifluoro-1-(furan-2-yl)-5-hydroxy-5-phenylhex-1-en-3-one is a drug-like molecule.
| MolName | (Z)-6,6,6-trifluoro-1-(furan-2-yl)-5-hydroxy-5-phenylhex-1-en-3-one |
| MolecularFormula | C16H13O3F3 |
| Smiles | OC(CC(/C=C\c1ccco1)=O)(C(F)(F)F)c1ccccc1 |
| InChI | InChI=1S/C16H13F3O3/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 | WYUBMIXXGNCFQS-OAHLLOKOSA-N |
| TotalMolweight | 310.27 |
| Molweight | 310.27 |
| MonoisotopicMass | 310.081679 |
| CLogP | 3.2373 |
| CLogS | -4.139 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 226.94 |
| Relative PSA | 0.17736 |
| PolarSurfaceArea | 50.44 |
| Druglikeness | -9.4461 |
| Mutagenic | high |
| 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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