(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-en-1-ol
Formula:C11H5OF17
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-en-1-ol is not a drug-like molecule.
| MolName | (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-en-1-ol |
| MolecularFormula | C11H5OF17 |
| Smiles | OC/C=C/C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChI | InChI=1S/C11H5F17O/c12-4(13,2-1-3-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2,29H,3H2 |
| InChIK | SZUDACTYWYPFLY-UHFFFAOYSA-N |
| TotalMolweight | 476.126 |
| Molweight | 476.126 |
| MonoisotopicMass | 476.006891 |
| CLogP | 6.1544 |
| CLogS | -6.555 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 251.34 |
| Relative PSA | 0.052121 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -103.05 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 18 |
| Electronegative Atoms | 18 |
| Rotatable Bond | 9 |
| Sp3Atoms | 10 |
| Symmetricatoms | 9 |
| StereoCon |
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1 - (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-en-1-ol | 2 - (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-en-1-ol
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