MolName : 1-azabicyclo[2.2.2]octan-3-yl (E)-3-phenylprop-2-enoate |
MolecularFormula : C16H19NO2 |
Smiles : O=C(/C=C/c1ccccc1)OC1C(CC2)CCN2C1 |
InChI : InChI=1S/C16H19NO2/c18-16(7-6-13-4-2-1-3-5-13)19-15-12-17-10-8-14(15)9-11-17/h1-7,14-15H,8-12H2/t15-/m0/s1 |
InChIK : MZZMVEVGUPIFKI-HNNXBMFYSA-N |
TotalMolweight : 257.332 |
Molweight : 257.332 |
MonoisotopicMass : 257.141579 |
CLogP : 2.5352 |
CLogS : -2.59 |
H Acceptors : 3 |
TotalSurfaceArea : 204.61 |
Relative PSA : 0.12995 |
PolarSurfaceArea : 29.54 |
Druglikeness : 2.7912 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : high |
Nasty Functions : |
Shape Index : 0.63158 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
StereoCenters : 1 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 4 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 9 |
Symmetricatoms : 4 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : racemate |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |