MolName : (2Z)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol |
MolecularFormula : C12H15NOS |
Smiles : OC(C1CCN2CC1)/C2=C/c1cccs1 |
InChI : InChI=1S/C12H15NOS/c14-12-9-3-5-13(6-4-9)11(12)8-10-2-1-7-15-10/h1-2,7-9,12,14H,3-6H2/t12-/m0/s1 |
InChIK : XMWJEFWRYXIQQR-LBPRGKRZSA-N |
TotalMolweight : 221.323 |
Molweight : 221.323 |
MonoisotopicMass : 221.087434 |
CLogP : 2.1282 |
CLogS : -2.628 |
H Acceptors : 2 |
H Donors : 1 |
TotalSurfaceArea : 163.6 |
Relative PSA : 0.22622 |
PolarSurfaceArea : 51.71 |
Druglikeness : 6.3682 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.53333 |
Fragments : 1 |
Non HAtoms : 15 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
StereoCenters : 1 |
Rotatable Bond : 1 |
Rings Closures : 3 |
Small Rings : 4 |
Aromatic Rings : 1 |
Aromatic Atoms : 5 |
Sp3Atoms : 8 |
Symmetricatoms : 2 |
BasicNitrogens : 1 |
StereoCon : racemate |