(E)-4,4,5,5,6,6,6-heptafluorohex-2-en-1-ol
Formula:C6H5OF7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,4,5,5,6,6,6-heptafluorohex-2-en-1-ol is a drug-like molecule.
| MolName | (E)-4,4,5,5,6,6,6-heptafluorohex-2-en-1-ol |
| MolecularFormula | C6H5OF7 |
| Smiles | OC/C=C/C(C(C(F)(F)F)(F)F)(F)F |
| InChI | InChI=1S/C6H5F7O/c7-4(8,2-1-3-14)5(9,10)6(11,12)13/h1-2,14H,3H2 |
| InChIK | FJRYHIWIYHYOTE-UHFFFAOYSA-N |
| TotalMolweight | 226.091 |
| Molweight | 226.091 |
| MonoisotopicMass | 226.022861 |
| CLogP | 2.6094 |
| CLogS | -2.965 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 135.79 |
| Relative PSA | 0.096472 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -67.514 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (E)-4,4,5,5,6,6,6-heptafluorohex-2-en-1-ol | 2 - (E)-4,4,5,5,6,6,6-heptafluorohex-2-en-1-ol
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