(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
Formula:C21H23NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is a drug-like molecule.
| MolName | (2Z)-2-[(3-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol |
| MolecularFormula | C21H23NO2 |
| Smiles | OC(C1CCN2CC1)/C2=C/c1cccc(OCc2ccccc2)c1 |
| InChI | InChI=1S/C21H23NO2/c23-21-18-9-11-22(12-10-18)20(21)14-17-7-4-8-19(13-17)24-15-16-5-2-1-3-6-16/h1-8,13-14,18,21,23H,9-12,15H2/t21-/m0/s1 |
| InChIK | TZPWXBIINWJEEC-NRFANRHFSA-N |
| TotalMolweight | 321.419 |
| Molweight | 321.419 |
| MonoisotopicMass | 321.172879 |
| CLogP | 3.6097 |
| CLogS | -3.959 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 251.18 |
| Relative PSA | 0.1061 |
| PolarSurfaceArea | 32.7 |
| Druglikeness | 4.7939 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-[(3-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol | 2 - (2Z)-2-[(3-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off