(2Z)-2-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Formula:C20H19NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one is a drug-like molecule.
| MolName | (2Z)-2-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one |
| MolecularFormula | C20H19NO |
| Smiles | O=C(C1CCN2CC1)/C2=C/c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C20H19NO/c22-20-18-10-12-21(13-11-18)19(20)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,14,18H,10-13H2 |
| InChIK | MNRTUFOKVZOHLS-UHFFFAOYSA-N |
| TotalMolweight | 289.377 |
| Molweight | 289.377 |
| MonoisotopicMass | 289.146664 |
| CLogP | 4.0645 |
| CLogS | -4.755 |
| H Acceptors | 2 |
| TotalSurfaceArea | 226.32 |
| Relative PSA | 0.073303 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 5.6169 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one | 2 - (2Z)-2-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off