1-azabicyclo[2.2.2]octan-3-yl (E)-3-phenylprop-2-enoate
Formula:C16H19NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-azabicyclo[2.2.2]octan-3-yl (E)-3-phenylprop-2-enoate is a drug-like molecule.
| 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 |
Click to Load Molecule:
1 - 1-azabicyclo[2.2.2]octan-3-yl (E)-3-phenylprop-2-enoate | 2 - 1-azabicyclo[2.2.2]octan-3-yl (E)-3-phenylprop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off