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C14H17NO3 1-azabicyclo[2.2.2]octan-3-yl (E)-3-(furan-2-yl)prop-2-enoate | Chemryt

1-azabicyclo[2.2.2]octan-3-yl (E)-3-(furan-2-yl)prop-2-enoate

Molecular Formula : C14H17NO3 | Mutagenic : high | Tumorigenic : none | Reproductive Effective : |

MolName : 1-azabicyclo[2.2.2]octan-3-yl (E)-3-(furan-2-yl)prop-2-enoate

MolecularFormula : C14H17NO3

Smiles : O=C(/C=C/c1ccco1)OC1C(CC2)CCN2C1

InChI : InChI=1S/C14H17NO3/c16-14(4-3-12-2-1-9-17-12)18-13-10-15-7-5-11(13)6-8-15/h1-4,9,11,13H,5-8,10H2/t13-/m0/s1

InChIK : BXLLWYMUFPXEET-ZDUSSCGKSA-N

TotalMolweight : 247.293

Molweight : 247.293

MonoisotopicMass : 247.120844

CLogP : 1.7239

CLogS : -2.272

H Acceptors : 4

TotalSurfaceArea : 194.3

Relative PSA : 0.20947

PolarSurfaceArea : 42.68

Druglikeness : 2.7186

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.61111

Fragments : 1

Non HAtoms : 18

NonCHAtoms : 4

Electronegative Atoms : 4

StereoCenters : 1

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 5

Sp3Atoms : 9

Symmetricatoms : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon : racemate

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