(E)-3,3,4,4,5,5,6,6,6-nonafluoro-1-nitrohex-1-ene
Formula:C6H2NO2F9
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3,3,4,4,5,5,6,6,6-nonafluoro-1-nitrohex-1-ene is a drug-like molecule.
| MolName | (E)-3,3,4,4,5,5,6,6,6-nonafluoro-1-nitrohex-1-ene |
| MolecularFormula | C6H2NO2F9 |
| Smiles | [O-][N+](/C=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)=O |
| InChI | InChI=1S/C6H2F9NO2/c7-3(8,1-2-16(17)18)4(9,10)5(11,12)6(13,14)15/h1-2H |
| InChIK | BODFJDZXURKORU-UHFFFAOYSA-N |
| TotalMolweight | 291.069 |
| Molweight | 291.069 |
| MonoisotopicMass | 290.994181 |
| CLogP | 2.2647 |
| CLogS | -4.292 |
| H Acceptors | 3 |
| TotalSurfaceArea | 162.46 |
| Relative PSA | 0.18725 |
| PolarSurfaceArea | 45.82 |
| Druglikeness | -108.28 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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