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C15H16N2 | Cheminformatics

(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-phenylacetonitrile

Molecular Formula : C15H16N2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |

MolName : (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-phenylacetonitrile

MolecularFormula : C15H16N2

Smiles : N#C/C(/c1ccccc1)=C1/C(CC2)CCN2C1

InChI : InChI=1S/C15H16N2/c16-10-14(12-4-2-1-3-5-12)15-11-17-8-6-13(15)7-9-17/h1-5,13H,6-9,11H2

InChIK : BUIDKUNZHWUHMI-UHFFFAOYSA-N

TotalMolweight : 224.306

Molweight : 224.306

MonoisotopicMass : 224.131348

CLogP : 2.3429

CLogS : -2.31

H Acceptors : 2

TotalSurfaceArea : 182.49

Relative PSA : 0.093759

PolarSurfaceArea : 27.03

Druglikeness : 1.0085

Mutagenic : none

Tumorigenic : none

Reproductive Effective : low

Irritant : none

Nasty Functions :

Shape Index : 0.52941

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 2

Electronegative Atoms : 2

Rotatable Bond : 1

Rings Closures : 3

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 7

Symmetricatoms : 4

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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