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C14H14NOF | Cheminformatics

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

Molecular Formula : C14H14NOF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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 :

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