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C14H16N2O | Cheminformatics

(NZ)-N-[(2Z)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine

Molecular Formula : C14H16N2O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (NZ)-N-[(2Z)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine

MolecularFormula : C14H16N2O

Smiles : O/N=C(/C1CCN2CC1)\C2=C\c1ccccc1

InChI : InChI=1S/C14H16N2O/c17-15-14-12-6-8-16(9-7-12)13(14)10-11-4-2-1-3-5-11/h1-5,10,12,17H,6-9H2

InChIK : HRIJKLAHYFFWJZ-UHFFFAOYSA-N

TotalMolweight : 228.294

Molweight : 228.294

MonoisotopicMass : 228.126263

CLogP : 3.0267

CLogS : -3.044

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 178.13

Relative PSA : 0.15809

PolarSurfaceArea : 35.83

Druglikeness : 4.708

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.52941

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 1

Rings Closures : 3

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 7

Symmetricatoms : 4

BasicNitrogens : 1

StereoCon :

Request More Details | (NZ)-N-[(2Z)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine


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