[(2Z)-2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] benzoate
Molecular Formula : C21H20NO2F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |[(2Z)-2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] benzoate is a drug-like molecule.
MolName : [(2Z)-2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] benzoate |
MolecularFormula : C21H20NO2F |
Smiles : O=C(c1ccccc1)OC(C1CCN2CC1)/C2=C/c(cccc1)c1F |
InChI : InChI=1S/C21H20FNO2/c22-18-9-5-4-8-17(18)14-19-20(15-10-12-23(19)13-11-15)25-21(24)16-6-2-1-3-7-16/h1-9,14-15,20H,10-13H2/t20-/m0/s1 |
InChIK : SOHOEVQNGGLRPU-FQEVSTJZSA-N |
TotalMolweight : 337.393 |
Molweight : 337.393 |
MonoisotopicMass : 337.147807 |
CLogP : 4.2908 |
CLogS : -4.512 |
H Acceptors : 3 |
TotalSurfaceArea : 255.17 |
Relative PSA : 0.10421 |
PolarSurfaceArea : 29.54 |
Druglikeness : 3.3946 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : low |
Irritant : none |
Nasty Functions : |
Shape Index : 0.52 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
StereoCenters : 1 |
Rotatable Bond : 4 |
Rings Closures : 4 |
Small Rings : 5 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 8 |
Symmetricatoms : 4 |
BasicNitrogens : 1 |
StereoCon : racemate |