MolName : (2Z)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ol |
MolecularFormula : C14H17NO |
Smiles : OC(C1CCN2CC1)/C2=C/c1ccccc1 |
InChI : InChI=1S/C14H17NO/c16-14-12-6-8-15(9-7-12)13(14)10-11-4-2-1-3-5-11/h1-5,10,12,14,16H,6-9H2/b13-10-/t14-/m0/s1 |
InChIK : XCJLSGXSDDYLKZ-ZVHGMHCTSA-N |
TotalMolweight : 215.295 |
Molweight : 215.295 |
MonoisotopicMass : 215.131014 |
CLogP : 2.2616 |
CLogS : -2.618 |
H Acceptors : 2 |
H Donors : 1 |
TotalSurfaceArea : 167.66 |
Relative PSA : 0.099308 |
PolarSurfaceArea : 23.47 |
Druglikeness : 5.0663 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.5625 |
Fragments : 1 |
Non HAtoms : 16 |
NonCHAtoms : 2 |
Electronegative Atoms : 2 |
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 |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |