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C21H20NO2F [(2Z)-2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] benzoate | Chemryt

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

Molecular Formula : C21H20NO2F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

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

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