[(2Z)-2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] 2,6-difluorobenzoate

Formula:C21H18NO2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:low [(2Z)-2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] 2,6-difluorobenzoate is a drug-like molecule.

MolName	[(2Z)-2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] 2,6-difluorobenzoate
MolecularFormula	C21H18NO2F3
Smiles	O=C(c(c(F)ccc1)c1F)OC(C1CCN2CC1)/C2=C/c(cccc1)c1F
InChI	InChI=1S/C21H18F3NO2/c22-15-5-2-1-4-14(15)12-18-20(13-8-10-25(18)11-9-13)27-21(26)19-16(23)6-3-7-17(19)24/h1-7,12-13,20H,8-11H2/b18-12-/t20-/m0/s1
InChIK	DHAFCWOUKLTHHJ-SQWSFHKJSA-N
TotalMolweight	373.373
Molweight	373.373
MonoisotopicMass	373.128963
CLogP	4.4924
CLogS	-5.14
H Acceptors	3
TotalSurfaceArea	267.87
Relative PSA	0.099265
PolarSurfaceArea	29.54
Druglikeness	3.3946
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	5
BasicNitrogens	1
StereoCon	racemate

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1 - [(2Z)-2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] 2,6-difluorobenzoate | 2 - [(2Z)-2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] 2,6-difluorobenzoate

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