(2E)-2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Formula:C14H14NOF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one is a drug-like molecule.
| MolName | (2E)-2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one |
| MolecularFormula | C14H14NOF |
| Smiles | O=C(C1CCN2CC1)/C2=C\c1cccc(F)c1 |
| InChI | InChI=1S/C14H14FNO/c15-12-3-1-2-10(8-12)9-13-14(17)11-4-6-16(13)7-5-11/h1-3,8-9,11H,4-7H2 |
| InChIK | JSZNJEQRKVJWAU-UHFFFAOYSA-N |
| TotalMolweight | 231.269 |
| Molweight | 231.269 |
| MonoisotopicMass | 231.105942 |
| CLogP | 2.5061 |
| CLogS | -2.983 |
| H Acceptors | 2 |
| TotalSurfaceArea | 172.91 |
| Relative PSA | 0.095946 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 4.2769 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (2E)-2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one | 2 - (2E)-2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
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