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C21H23NO2 (2Z)-2-[(3-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol | Chemryt

(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol

Molecular Formula : C21H23NO2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (2Z)-2-[(3-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol

MolecularFormula : C21H23NO2

Smiles : OC(C1CCN2CC1)/C2=C/c1cccc(OCc2ccccc2)c1

InChI : InChI=1S/C21H23NO2/c23-21-18-9-11-22(12-10-18)20(21)14-17-7-4-8-19(13-17)24-15-16-5-2-1-3-6-16/h1-8,13-14,18,21,23H,9-12,15H2/t21-/m0/s1

InChIK : TZPWXBIINWJEEC-NRFANRHFSA-N

TotalMolweight : 321.419

Molweight : 321.419

MonoisotopicMass : 321.172879

CLogP : 3.6097

CLogS : -3.959

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 251.18

Relative PSA : 0.1061

PolarSurfaceArea : 32.7

Druglikeness : 4.7939

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.58333

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 3

Electronegative Atoms : 3

StereoCenters : 1

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 5

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 10

Symmetricatoms : 4

BasicNitrogens : 1

StereoCon : racemate

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