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C15H16NOF3 | Cheminformatics

(2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol

Molecular Formula : C15H16NOF3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (2E)-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol

MolecularFormula : C15H16NOF3

Smiles : OC(C1CCN2CC1)/C2=C\c1ccc(C(F)(F)F)cc1

InChI : InChI=1S/C15H16F3NO/c16-15(17,18)12-3-1-10(2-4-12)9-13-14(20)11-5-7-19(13)8-6-11/h1-4,9,11,14,20H,5-8H2/t14-/m0/s1

InChIK : WPCZJSSIEMUSDD-AWEZNQCLSA-N

TotalMolweight : 283.292

Molweight : 283.292

MonoisotopicMass : 283.118398

CLogP : 3.1099

CLogS : -3.396

H Acceptors : 2

H Donors : 1

TotalSurfaceArea : 197.12

Relative PSA : 0.084466

PolarSurfaceArea : 23.47

Druglikeness : -2.1237

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.55

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 5

Electronegative Atoms : 5

StereoCenters : 1

Rotatable Bond : 2

Rings Closures : 3

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 9

Symmetricatoms : 6

BasicNitrogens : 1

StereoCon : racemate

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