(2E)-2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Molecular 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 : |