(E)-1,1,1-trifluoro-6-phenyl-2-(trifluoromethyl)hex-5-ene-2,4-diol
Formula:C13H12O2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,1,1-trifluoro-6-phenyl-2-(trifluoromethyl)hex-5-ene-2,4-diol is a drug-like molecule.
| MolName | (E)-1,1,1-trifluoro-6-phenyl-2-(trifluoromethyl)hex-5-ene-2,4-diol |
| MolecularFormula | C13H12O2F6 |
| Smiles | OC(CC(C(F)(F)F)(C(F)(F)F)O)/C=C/c1ccccc1 |
| InChI | InChI=1S/C13H12F6O2/c14-12(15,16)11(21,13(17,18)19)8-10(20)7-6-9-4-2-1-3-5-9/h1-7,10,20-21H,8H2/t10-/m1/s1 |
| InChIK | RQOACHKKGFEMHR-SNVBAGLBSA-N |
| TotalMolweight | 314.224 |
| Molweight | 314.224 |
| MonoisotopicMass | 314.074148 |
| CLogP | 3.419 |
| CLogS | -4.125 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 208.05 |
| Relative PSA | 0.12593 |
| PolarSurfaceArea | 40.46 |
| Druglikeness | -18.367 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-1,1,1-trifluoro-6-phenyl-2-(trifluoromethyl)hex-5-ene-2,4-diol | 2 - (E)-1,1,1-trifluoro-6-phenyl-2-(trifluoromethyl)hex-5-ene-2,4-diol
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