(E)-1-(azepan-1-yl)-4,4,5,5,5-pentafluoropent-1-en-3-one
Formula:C11H14NOF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(azepan-1-yl)-4,4,5,5,5-pentafluoropent-1-en-3-one is a drug-like molecule.
| MolName | (E)-1-(azepan-1-yl)-4,4,5,5,5-pentafluoropent-1-en-3-one |
| MolecularFormula | C11H14NOF5 |
| Smiles | O=C(C(C(F)(F)F)(F)F)/C=C/N1CCCCCC1 |
| InChI | InChI=1S/C11H14F5NO/c12-10(13,11(14,15)16)9(18)5-8-17-6-3-1-2-4-7-17/h5,8H,1-4,6-7H2 |
| InChIK | NYYGZPNWRALSGA-UHFFFAOYSA-N |
| TotalMolweight | 271.228 |
| Molweight | 271.228 |
| MonoisotopicMass | 271.099554 |
| CLogP | 2.5484 |
| CLogS | -3.207 |
| H Acceptors | 2 |
| TotalSurfaceArea | 189.68 |
| Relative PSA | 0.087463 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | -66.693 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| StereoCon |
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