(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
Formula:C14H15NOClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is a drug-like molecule.
| MolName | (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol |
| MolecularFormula | C14H15NOClF |
| Smiles | OC(C1CCN2CC1)/C2=C/c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C14H15ClFNO/c15-11-2-1-3-12(16)10(11)8-13-14(18)9-4-6-17(13)7-5-9/h1-3,8-9,14,18H,4-7H2/t14-/m0/s1 |
| InChIK | VFXZDJWKCIRXPG-AWEZNQCLSA-N |
| TotalMolweight | 267.73 |
| Molweight | 267.73 |
| MonoisotopicMass | 267.082619 |
| CLogP | 2.9684 |
| CLogS | -3.668 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 189.43 |
| Relative PSA | 0.087895 |
| PolarSurfaceArea | 23.47 |
| Druglikeness | 3.7585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol | 2 - (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
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