(2E)-2-[(4-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
Molecular Formula : C14H16NOF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(2E)-2-[(4-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is a drug-like molecule.
MolName : (2E)-2-[(4-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol |
MolecularFormula : C14H16NOF |
Smiles : OC(C1CCN2CC1)/C2=C\c(cc1)ccc1F |
InChI : InChI=1S/C14H16FNO/c15-12-3-1-10(2-4-12)9-13-14(17)11-5-7-16(13)8-6-11/h1-4,9,11,14,17H,5-8H2/t14-/m0/s1 |
InChIK : HSEHKBPZCDLUHZ-AWEZNQCLSA-N |
TotalMolweight : 233.285 |
Molweight : 233.285 |
MonoisotopicMass : 233.121592 |
CLogP : 2.3624 |
CLogS : -2.932 |
H Acceptors : 2 |
H Donors : 1 |
TotalSurfaceArea : 174.01 |
Relative PSA : 0.095684 |
PolarSurfaceArea : 23.47 |
Druglikeness : 3.7263 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.58824 |
Fragments : 1 |
Non HAtoms : 17 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
StereoCenters : 1 |
Rotatable Bond : 1 |
Rings Closures : 3 |
Small Rings : 4 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 8 |
Symmetricatoms : 4 |
BasicNitrogens : 1 |
StereoCon : racemate |