(E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol
Formula:C9H5OF13
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol is a drug-like molecule.
| MolName | (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol |
| MolecularFormula | C9H5OF13 |
| Smiles | OC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChI | InChI=1S/C9H5F13O/c10-4(11,2-1-3-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2,23H,3H2 |
| InChIK | ATYZUVRSTXBJLR-UHFFFAOYSA-N |
| TotalMolweight | 376.112 |
| Molweight | 376.112 |
| MonoisotopicMass | 376.013279 |
| CLogP | 4.7364 |
| CLogS | -5.119 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 205.12 |
| Relative PSA | 0.063865 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -103.05 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 7 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol | 2 - (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol
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