(E)-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylprop-2-enamide
Molecular Formula : C16H20N2O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylprop-2-enamide is a drug-like molecule.
MolName : (E)-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylprop-2-enamide |
MolecularFormula : C16H20N2O |
Smiles : O=C(/C=C/c1ccccc1)NC1C(CC2)CCN2C1 |
InChI : InChI=1S/C16H20N2O/c19-16(7-6-13-4-2-1-3-5-13)17-15-12-18-10-8-14(15)9-11-18/h1-7,14-15H,8-12H2,(H,17,19)/t15-/m0/s1 |
InChIK : ODFSOOCVJPIZNA-HNNXBMFYSA-N |
TotalMolweight : 256.348 |
Molweight : 256.348 |
MonoisotopicMass : 256.157563 |
CLogP : 2.061 |
CLogS : -2.454 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 206.07 |
Relative PSA : 0.13612 |
PolarSurfaceArea : 32.34 |
Druglikeness : 5.1264 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.63158 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
StereoCenters : 1 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 4 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 8 |
Symmetricatoms : 4 |
Amides : 1 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : racemate |