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C12H13NO2 (2E)-2-(furan-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one | Chemryt

(2E)-2-(furan-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one

Molecular Formula : C12H13NO2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (2E)-2-(furan-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one

MolecularFormula : C12H13NO2

Smiles : O=C(C1CCN2CC1)/C2=C\c1cocc1

InChI : InChI=1S/C12H13NO2/c14-12-10-1-4-13(5-2-10)11(12)7-9-3-6-15-8-9/h3,6-8,10H,1-2,4-5H2

InChIK : APTWHAORRBVWBO-UHFFFAOYSA-N

TotalMolweight : 203.24

Molweight : 203.24

MonoisotopicMass : 203.094629

CLogP : 1.54

CLogS : -2.327

H Acceptors : 3

TotalSurfaceArea : 156.25

Relative PSA : 0.19648

PolarSurfaceArea : 33.45

Druglikeness : 5.178

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.53333

Fragments : 1

Non HAtoms : 15

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 1

Rings Closures : 3

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 5

Sp3Atoms : 6

Symmetricatoms : 2

BasicNitrogens : 1

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