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C14H16NOBr (2Z)-2-[(2-bromophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol | Chemryt

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

Molecular Formula : C14H16NOBr | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C14H16NOBr

Smiles : OC(C1CCN2CC1)/C2=C/c(cccc1)c1Br

InChI : InChI=1S/C14H16BrNO/c15-12-4-2-1-3-11(12)9-13-14(17)10-5-7-16(13)8-6-10/h1-4,9-10,14,17H,5-8H2/t14-/m0/s1

InChIK : DKLUWTUOBHTLLP-AWEZNQCLSA-N

TotalMolweight : 294.191

Molweight : 294.191

MonoisotopicMass : 293.041525

CLogP : 2.9868

CLogS : -3.452

H Acceptors : 2

H Donors : 1

TotalSurfaceArea : 186.29

Relative PSA : 0.089377

PolarSurfaceArea : 23.47

Druglikeness : 3.2763

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.52941

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 3

Electronegative Atoms : 3

StereoCenters : 1

Rotatable Bond : 1

Rings Closures : 3

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 8

Symmetricatoms : 2

BasicNitrogens : 1

StereoCon : racemate

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