MolName : (2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol |
MolecularFormula : C14H16NOCl |
Smiles : OC(C1CCN2CC1)/C2=C\c(cccc1)c1Cl |
InChI : InChI=1S/C14H16ClNO/c15-12-4-2-1-3-11(12)9-13-14(17)10-5-7-16(13)8-6-10/h1-4,9-10,14,17H,5-8H2/t14-/m0/s1 |
InChIK : FWQZIYFJKFBOIY-AWEZNQCLSA-N |
TotalMolweight : 249.74 |
Molweight : 249.74 |
MonoisotopicMass : 249.092041 |
CLogP : 2.8676 |
CLogS : -3.354 |
H Acceptors : 2 |
H Donors : 1 |
TotalSurfaceArea : 183.08 |
Relative PSA : 0.090944 |
PolarSurfaceArea : 23.47 |
Druglikeness : 5.0985 |
Mutagenic : none |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.52941 |
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 : 2 |
BasicNitrogens : 1 |
StereoCon : racemate |