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C14H16N2O3 (2E)-2-[(4-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol | Chemryt

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

Molecular Formula : C14H16N2O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C14H16N2O3

Smiles : [O-][N+](c1ccc(/C=C2/N(CC3)CCC3C2O)cc1)=O

InChI : InChI=1S/C14H16N2O3/c17-14-11-5-7-15(8-6-11)13(14)9-10-1-3-12(4-2-10)16(18)19/h1-4,9,11,14,17H,5-8H2/t14-/m0/s1

InChIK : KWXOJIBUTPSKRN-AWEZNQCLSA-N

TotalMolweight : 260.292

Molweight : 260.292

MonoisotopicMass : 260.116093

CLogP : 0.4135

CLogS : -3.078

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 191.33

Relative PSA : 0.24601

PolarSurfaceArea : 69.29

Druglikeness : -0.031689

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.57895

Fragments : 1

Non HAtoms : 19

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 : 4

BasicNitrogens : 1

AcidicOxygens : 1

StereoCon : racemate

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