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C20H22N2O | Cheminformatics

(Z)-N-benzhydryloxy-1-azabicyclo[2.2.2]octan-3-imine

Molecular Formula : C20H22N2O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (Z)-N-benzhydryloxy-1-azabicyclo[2.2.2]octan-3-imine

MolecularFormula : C20H22N2O

Smiles : C(CN(CC1)C2)C1/C2=N/OC(c1ccccc1)c1ccccc1

InChI : InChI=1S/C20H22N2O/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)23-21-19-15-22-13-11-16(19)12-14-22/h1-10,16,20H,11-15H2

InChIK : QBQZCWNJZPUFGJ-UHFFFAOYSA-N

TotalMolweight : 306.408

Molweight : 306.408

MonoisotopicMass : 306.173213

CLogP : 4.3799

CLogS : -3.653

H Acceptors : 3

TotalSurfaceArea : 243.09

Relative PSA : 0.10309

PolarSurfaceArea : 24.83

Druglikeness : 6.2069

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.47826

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 5

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 9

Symmetricatoms : 10

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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