(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol
Formula:C15H16NOF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol is a drug-like molecule.
| MolName | (2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol |
| MolecularFormula | C15H16NOF3 |
| Smiles | OC(C1CCN2CC1)/C2=C/c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C15H16F3NO/c16-15(17,18)12-3-1-10(2-4-12)9-13-14(20)11-5-7-19(13)8-6-11/h1-4,9,11,14,20H,5-8H2/t14-/m0/s1 |
| InChIK | WPCZJSSIEMUSDD-AWEZNQCLSA-N |
| TotalMolweight | 283.292 |
| Molweight | 283.292 |
| MonoisotopicMass | 283.118398 |
| CLogP | 3.1099 |
| CLogS | -3.396 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 197.12 |
| Relative PSA | 0.084466 |
| PolarSurfaceArea | 23.47 |
| Druglikeness | -2.1237 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol | 2 - (2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol
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