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 |