[(2Z,3R)-2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] benzoate

Formula:C21H20NO2F Mutagenic:none Tumorigenic:none Reproductive Effective:low [(2Z,3R)-2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] benzoate is a drug-like molecule.

MolName	[(2Z,3R)-2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] benzoate
MolecularFormula	C21H20NO2F
Smiles	O=C(c1ccccc1)O[C@H](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-/m1/s1
InChIK	SOHOEVQNGGLRPU-HXUWFJFHSA-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	this enantiomer

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