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C14H17NO (2Z)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ol | Chemryt

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

Molecular Formula : C14H17NO | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C14H17NO

Smiles : OC(C1CCN2CC1)/C2=C/c1ccccc1

InChI : InChI=1S/C14H17NO/c16-14-12-6-8-15(9-7-12)13(14)10-11-4-2-1-3-5-11/h1-5,10,12,14,16H,6-9H2/b13-10-/t14-/m0/s1

InChIK : XCJLSGXSDDYLKZ-ZVHGMHCTSA-N

TotalMolweight : 215.295

Molweight : 215.295

MonoisotopicMass : 215.131014

CLogP : 2.2616

CLogS : -2.618

H Acceptors : 2

H Donors : 1

TotalSurfaceArea : 167.66

Relative PSA : 0.099308

PolarSurfaceArea : 23.47

Druglikeness : 5.0663

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.5625

Fragments : 1

Non HAtoms : 16

NonCHAtoms : 2

Electronegative Atoms : 2

StereoCenters : 1

Rotatable Bond : 1

Rings Closures : 3

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 8

Symmetricatoms : 4

BasicNitrogens : 1

StereoCon : racemate

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