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C20H19NO (2Z)-2-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one | Chemryt

(2Z)-2-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

Molecular Formula : C20H19NO | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (2Z)-2-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

MolecularFormula : C20H19NO

Smiles : O=C(C1CCN2CC1)/C2=C/c(cc1)ccc1-c1ccccc1

InChI : InChI=1S/C20H19NO/c22-20-18-10-12-21(13-11-18)19(20)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,14,18H,10-13H2

InChIK : MNRTUFOKVZOHLS-UHFFFAOYSA-N

TotalMolweight : 289.377

Molweight : 289.377

MonoisotopicMass : 289.146664

CLogP : 4.0645

CLogS : -4.755

H Acceptors : 2

TotalSurfaceArea : 226.32

Relative PSA : 0.073303

PolarSurfaceArea : 20.31

Druglikeness : 5.6169

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.59091

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 2

Electronegative Atoms : 2

Rotatable Bond : 2

Rings Closures : 4

Small Rings : 5

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Symmetricatoms : 6

BasicNitrogens : 1

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